USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot 71:sc= 1 USER MOD Set 2.1: A 12 TYR OH : rot 40:sc= 0.126 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 169:sc= 0.917 (180deg=0.766) USER MOD Set 3.1: A 37 TYR OH : rot 101:sc=-0.00461 USER MOD Set 3.2: A 58 ASN : amide:sc= 0.781 X(o=0.78,f=0.52) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.491 F(o=-2.1,f=-0.49) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= 0.865 (180deg=0.1) USER MOD Single : A 23 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-1.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= 1.34 (180deg=0.815) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 1.12 (180deg=1.09) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc=-0.00873 (180deg=-0.0868) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.084) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 1.08 (180deg=1.07) USER MOD Single : A 69 HIS : no HE2:sc= 0.3 K(o=0.3,f=-1.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0552 (180deg=-0.236) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.01) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= -0.798! (180deg=-0.831!) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= -0.0229 (180deg=-0.19) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 7.920 -4.295 -12.508 1.00 54.32 N ATOM 114 CA LYS A 8 7.786 -3.341 -11.401 1.00 41.13 C ATOM 115 C LYS A 8 6.434 -3.482 -10.685 1.00 14.35 C ATOM 116 O LYS A 8 5.419 -3.814 -11.305 1.00 13.51 O ATOM 117 CB LYS A 8 7.947 -1.910 -11.937 1.00 0.32 C ATOM 118 CG LYS A 8 9.287 -1.660 -12.634 1.00 64.04 C ATOM 119 CD LYS A 8 9.343 -0.283 -13.296 1.00 73.11 C ATOM 120 CE LYS A 8 10.709 -0.004 -13.916 1.00 30.11 C ATOM 121 NZ LYS A 8 10.766 1.332 -14.573 1.00 1.53 N ATOM 0 HA LYS A 8 8.568 -3.558 -10.673 1.00 41.13 H new ATOM 0 HB2 LYS A 8 7.139 -1.701 -12.638 1.00 0.32 H new ATOM 0 HB3 LYS A 8 7.841 -1.208 -11.110 1.00 0.32 H new ATOM 0 HG2 LYS A 8 10.095 -1.745 -11.907 1.00 64.04 H new ATOM 0 HG3 LYS A 8 9.453 -2.431 -13.387 1.00 64.04 H new ATOM 0 HD2 LYS A 8 8.575 -0.219 -14.067 1.00 73.11 H new ATOM 0 HD3 LYS A 8 9.117 0.485 -12.556 1.00 73.11 H new ATOM 0 HE2 LYS A 8 11.475 -0.060 -13.143 1.00 30.11 H new ATOM 0 HE3 LYS A 8 10.938 -0.778 -14.649 1.00 30.11 H new ATOM 0 HZ1 LYS A 8 11.712 1.479 -14.980 1.00 1.53 H new ATOM 0 HZ2 LYS A 8 10.053 1.378 -15.329 1.00 1.53 H new ATOM 0 HZ3 LYS A 8 10.573 2.073 -13.870 1.00 1.53 H new ATOM 135 N ASP A 9 6.425 -3.230 -9.377 1.00 5.05 N ATOM 136 CA ASP A 9 5.189 -3.286 -8.590 1.00 74.04 C ATOM 137 C ASP A 9 4.412 -1.965 -8.691 1.00 30.51 C ATOM 138 O ASP A 9 4.998 -0.905 -8.924 1.00 74.41 O ATOM 139 CB ASP A 9 5.499 -3.558 -7.114 1.00 32.30 C ATOM 140 CG ASP A 9 6.392 -4.763 -6.906 1.00 12.42 C ATOM 141 OD1 ASP A 9 5.879 -5.902 -6.922 1.00 70.32 O ATOM 142 OD2 ASP A 9 7.614 -4.573 -6.713 1.00 13.40 O ATOM 0 H ASP A 9 7.256 -2.985 -8.839 1.00 5.05 H new ATOM 0 HA ASP A 9 4.583 -4.096 -8.995 1.00 74.04 H new ATOM 0 HB2 ASP A 9 5.978 -2.679 -6.682 1.00 32.30 H new ATOM 0 HB3 ASP A 9 4.564 -3.709 -6.575 1.00 32.30 H new ATOM 147 N GLU A 10 3.098 -2.030 -8.506 1.00 40.13 N ATOM 148 CA GLU A 10 2.277 -0.820 -8.394 1.00 43.03 C ATOM 149 C GLU A 10 1.240 -0.979 -7.274 1.00 51.10 C ATOM 150 O GLU A 10 0.451 -1.928 -7.263 1.00 53.22 O ATOM 151 CB GLU A 10 1.585 -0.473 -9.724 1.00 31.42 C ATOM 152 CG GLU A 10 0.562 -1.501 -10.201 1.00 62.44 C ATOM 153 CD GLU A 10 -0.201 -1.036 -11.433 1.00 51.55 C ATOM 154 OE1 GLU A 10 -0.997 -0.081 -11.320 1.00 3.34 O ATOM 155 OE2 GLU A 10 -0.022 -1.631 -12.519 1.00 12.53 O ATOM 0 H GLU A 10 2.576 -2.903 -8.430 1.00 40.13 H new ATOM 0 HA GLU A 10 2.942 0.007 -8.146 1.00 43.03 H new ATOM 0 HB2 GLU A 10 1.088 0.491 -9.618 1.00 31.42 H new ATOM 0 HB3 GLU A 10 2.347 -0.356 -10.494 1.00 31.42 H new ATOM 0 HG2 GLU A 10 1.071 -2.438 -10.425 1.00 62.44 H new ATOM 0 HG3 GLU A 10 -0.144 -1.706 -9.396 1.00 62.44 H new ATOM 162 N TYR A 11 1.268 -0.062 -6.317 1.00 73.21 N ATOM 163 CA TYR A 11 0.334 -0.087 -5.191 1.00 61.54 C ATOM 164 C TYR A 11 -0.780 0.952 -5.369 1.00 34.13 C ATOM 165 O TYR A 11 -0.514 2.148 -5.492 1.00 25.52 O ATOM 166 CB TYR A 11 1.084 0.165 -3.877 1.00 34.31 C ATOM 167 CG TYR A 11 2.017 -0.967 -3.491 1.00 44.24 C ATOM 168 CD1 TYR A 11 3.317 -1.031 -3.977 1.00 33.42 C ATOM 169 CD2 TYR A 11 1.588 -1.978 -2.639 1.00 61.12 C ATOM 170 CE1 TYR A 11 4.162 -2.068 -3.622 1.00 11.42 C ATOM 171 CE2 TYR A 11 2.426 -3.013 -2.281 1.00 74.52 C ATOM 172 CZ TYR A 11 3.710 -3.056 -2.773 1.00 21.34 C ATOM 173 OH TYR A 11 4.548 -4.090 -2.414 1.00 51.31 O ATOM 0 H TYR A 11 1.930 0.714 -6.295 1.00 73.21 H new ATOM 0 HA TYR A 11 -0.127 -1.074 -5.158 1.00 61.54 H new ATOM 0 HB2 TYR A 11 1.660 1.086 -3.966 1.00 34.31 H new ATOM 0 HB3 TYR A 11 0.360 0.318 -3.077 1.00 34.31 H new ATOM 0 HD1 TYR A 11 3.674 -0.259 -4.643 1.00 33.42 H new ATOM 0 HD2 TYR A 11 0.581 -1.952 -2.251 1.00 61.12 H new ATOM 0 HE1 TYR A 11 5.170 -2.103 -4.008 1.00 11.42 H new ATOM 0 HE2 TYR A 11 2.075 -3.788 -1.616 1.00 74.52 H new ATOM 0 HH TYR A 11 4.075 -4.700 -1.810 1.00 51.31 H new ATOM 183 N TYR A 12 -2.024 0.483 -5.390 1.00 2.44 N ATOM 184 CA TYR A 12 -3.184 1.369 -5.506 1.00 1.42 C ATOM 185 C TYR A 12 -3.529 1.989 -4.146 1.00 63.21 C ATOM 186 O TYR A 12 -4.127 1.338 -3.290 1.00 1.44 O ATOM 187 CB TYR A 12 -4.390 0.596 -6.060 1.00 64.01 C ATOM 188 CG TYR A 12 -4.123 -0.057 -7.403 1.00 4.04 C ATOM 189 CD1 TYR A 12 -4.217 0.674 -8.585 1.00 53.34 C ATOM 190 CD2 TYR A 12 -3.770 -1.400 -7.491 1.00 5.53 C ATOM 191 CE1 TYR A 12 -3.965 0.086 -9.810 1.00 4.11 C ATOM 192 CE2 TYR A 12 -3.518 -1.996 -8.713 1.00 21.32 C ATOM 193 CZ TYR A 12 -3.617 -1.248 -9.869 1.00 24.05 C ATOM 194 OH TYR A 12 -3.359 -1.836 -11.088 1.00 12.35 O ATOM 0 H TYR A 12 -2.258 -0.508 -5.328 1.00 2.44 H new ATOM 0 HA TYR A 12 -2.935 2.174 -6.198 1.00 1.42 H new ATOM 0 HB2 TYR A 12 -4.681 -0.172 -5.343 1.00 64.01 H new ATOM 0 HB3 TYR A 12 -5.235 1.277 -6.157 1.00 64.01 H new ATOM 0 HD1 TYR A 12 -4.491 1.718 -8.543 1.00 53.34 H new ATOM 0 HD2 TYR A 12 -3.691 -1.988 -6.588 1.00 5.53 H new ATOM 0 HE1 TYR A 12 -4.040 0.668 -10.717 1.00 4.11 H new ATOM 0 HE2 TYR A 12 -3.246 -3.040 -8.763 1.00 21.32 H new ATOM 0 HH TYR A 12 -2.855 -1.212 -11.652 1.00 12.35 H new ATOM 204 N VAL A 13 -3.117 3.238 -3.942 1.00 15.15 N ATOM 205 CA VAL A 13 -3.364 3.935 -2.675 1.00 73.11 C ATOM 206 C VAL A 13 -4.466 4.989 -2.822 1.00 52.03 C ATOM 207 O VAL A 13 -4.843 5.367 -3.930 1.00 13.25 O ATOM 208 CB VAL A 13 -2.074 4.619 -2.143 1.00 34.22 C ATOM 209 CG1 VAL A 13 -0.899 3.645 -2.152 1.00 41.43 C ATOM 210 CG2 VAL A 13 -1.738 5.877 -2.940 1.00 23.23 C ATOM 0 H VAL A 13 -2.611 3.790 -4.634 1.00 15.15 H new ATOM 0 HA VAL A 13 -3.687 3.179 -1.960 1.00 73.11 H new ATOM 0 HB VAL A 13 -2.263 4.920 -1.113 1.00 34.22 H new ATOM 0 HG11 VAL A 13 -0.008 4.147 -1.775 1.00 41.43 H new ATOM 0 HG12 VAL A 13 -1.130 2.790 -1.516 1.00 41.43 H new ATOM 0 HG13 VAL A 13 -0.719 3.301 -3.171 1.00 41.43 H new ATOM 0 HG21 VAL A 13 -0.830 6.329 -2.540 1.00 23.23 H new ATOM 0 HG22 VAL A 13 -1.582 5.614 -3.986 1.00 23.23 H new ATOM 0 HG23 VAL A 13 -2.561 6.587 -2.863 1.00 23.23 H new ATOM 220 N GLN A 14 -4.976 5.461 -1.694 1.00 45.14 N ATOM 221 CA GLN A 14 -5.996 6.507 -1.691 1.00 15.34 C ATOM 222 C GLN A 14 -5.573 7.634 -0.741 1.00 54.50 C ATOM 223 O GLN A 14 -5.443 7.429 0.466 1.00 10.20 O ATOM 224 CB GLN A 14 -7.355 5.905 -1.279 1.00 71.31 C ATOM 225 CG GLN A 14 -8.578 6.712 -1.723 1.00 12.23 C ATOM 226 CD GLN A 14 -8.759 8.017 -0.965 1.00 43.30 C ATOM 227 OE1 GLN A 14 -8.178 9.084 -1.470 1.00 40.52 O flip ATOM 228 NE2 GLN A 14 -9.430 8.071 0.060 1.00 1.30 N flip ATOM 0 H GLN A 14 -4.702 5.138 -0.766 1.00 45.14 H new ATOM 0 HA GLN A 14 -6.101 6.927 -2.691 1.00 15.34 H new ATOM 0 HB2 GLN A 14 -7.431 4.900 -1.693 1.00 71.31 H new ATOM 0 HB3 GLN A 14 -7.378 5.805 -0.194 1.00 71.31 H new ATOM 0 HG2 GLN A 14 -8.491 6.930 -2.787 1.00 12.23 H new ATOM 0 HG3 GLN A 14 -9.471 6.101 -1.594 1.00 12.23 H new ATOM 0 HE21 GLN A 14 -9.868 7.227 0.428 1.00 1.30 H new ATOM 0 HE22 GLN A 14 -9.550 8.960 0.545 1.00 1.30 H new ATOM 237 N ILE A 15 -5.346 8.819 -1.298 1.00 60.50 N ATOM 238 CA ILE A 15 -4.855 9.958 -0.518 1.00 42.21 C ATOM 239 C ILE A 15 -5.874 10.420 0.537 1.00 2.21 C ATOM 240 O ILE A 15 -6.788 11.201 0.248 1.00 53.53 O ATOM 241 CB ILE A 15 -4.479 11.146 -1.436 1.00 61.23 C ATOM 242 CG1 ILE A 15 -3.473 10.688 -2.508 1.00 3.21 C ATOM 243 CG2 ILE A 15 -3.901 12.304 -0.618 1.00 63.53 C ATOM 244 CD1 ILE A 15 -2.177 10.133 -1.940 1.00 3.24 C ATOM 0 H ILE A 15 -5.493 9.019 -2.287 1.00 60.50 H new ATOM 0 HA ILE A 15 -3.961 9.614 0.002 1.00 42.21 H new ATOM 0 HB ILE A 15 -5.383 11.500 -1.931 1.00 61.23 H new ATOM 0 HG12 ILE A 15 -3.942 9.925 -3.130 1.00 3.21 H new ATOM 0 HG13 ILE A 15 -3.241 11.531 -3.159 1.00 3.21 H new ATOM 0 HG21 ILE A 15 -3.644 13.127 -1.284 1.00 63.53 H new ATOM 0 HG22 ILE A 15 -4.641 12.642 0.108 1.00 63.53 H new ATOM 0 HG23 ILE A 15 -3.006 11.968 -0.094 1.00 63.53 H new ATOM 0 HD11 ILE A 15 -1.521 9.832 -2.757 1.00 3.24 H new ATOM 0 HD12 ILE A 15 -1.684 10.900 -1.342 1.00 3.24 H new ATOM 0 HD13 ILE A 15 -2.395 9.269 -1.313 1.00 3.24 H new ATOM 256 N THR A 16 -5.728 9.889 1.747 1.00 3.44 N ATOM 257 CA THR A 16 -6.546 10.296 2.897 1.00 22.35 C ATOM 258 C THR A 16 -5.800 11.310 3.780 1.00 23.42 C ATOM 259 O THR A 16 -6.402 12.239 4.321 1.00 52.24 O ATOM 260 CB THR A 16 -6.930 9.077 3.765 1.00 41.10 C ATOM 261 OG1 THR A 16 -5.742 8.376 4.166 1.00 53.53 O ATOM 262 CG2 THR A 16 -7.854 8.123 3.011 1.00 55.01 C ATOM 0 H THR A 16 -5.042 9.166 1.963 1.00 3.44 H new ATOM 0 HA THR A 16 -7.448 10.758 2.496 1.00 22.35 H new ATOM 0 HB THR A 16 -7.462 9.443 4.643 1.00 41.10 H new ATOM 0 HG1 THR A 16 -5.988 7.604 4.718 1.00 53.53 H new ATOM 0 HG21 THR A 16 -8.104 7.277 3.651 1.00 55.01 H new ATOM 0 HG22 THR A 16 -8.767 8.647 2.729 1.00 55.01 H new ATOM 0 HG23 THR A 16 -7.351 7.763 2.114 1.00 55.01 H new ATOM 270 N VAL A 17 -4.489 11.120 3.922 1.00 42.13 N ATOM 271 CA VAL A 17 -3.644 12.036 4.702 1.00 10.33 C ATOM 272 C VAL A 17 -3.090 13.171 3.821 1.00 64.32 C ATOM 273 O VAL A 17 -2.386 12.931 2.840 1.00 61.42 O ATOM 274 CB VAL A 17 -2.473 11.279 5.389 1.00 74.54 C ATOM 275 CG1 VAL A 17 -3.012 10.322 6.453 1.00 35.14 C ATOM 276 CG2 VAL A 17 -1.627 10.520 4.363 1.00 44.31 C ATOM 0 H VAL A 17 -3.983 10.338 3.507 1.00 42.13 H new ATOM 0 HA VAL A 17 -4.275 12.473 5.476 1.00 10.33 H new ATOM 0 HB VAL A 17 -1.831 12.015 5.872 1.00 74.54 H new ATOM 0 HG11 VAL A 17 -2.181 9.799 6.926 1.00 35.14 H new ATOM 0 HG12 VAL A 17 -3.561 10.887 7.206 1.00 35.14 H new ATOM 0 HG13 VAL A 17 -3.679 9.597 5.986 1.00 35.14 H new ATOM 0 HG21 VAL A 17 -0.816 10.000 4.873 1.00 44.31 H new ATOM 0 HG22 VAL A 17 -2.252 9.794 3.842 1.00 44.31 H new ATOM 0 HG23 VAL A 17 -1.210 11.224 3.643 1.00 44.31 H new ATOM 286 N ASP A 18 -3.432 14.408 4.173 1.00 64.23 N ATOM 287 CA ASP A 18 -3.075 15.579 3.359 1.00 41.35 C ATOM 288 C ASP A 18 -2.451 16.714 4.202 1.00 72.23 C ATOM 289 O ASP A 18 -2.598 16.750 5.428 1.00 1.34 O ATOM 290 CB ASP A 18 -4.340 16.070 2.637 1.00 70.12 C ATOM 291 CG ASP A 18 -4.129 17.355 1.859 1.00 75.51 C ATOM 292 OD1 ASP A 18 -3.208 17.399 1.024 1.00 3.31 O ATOM 293 OD2 ASP A 18 -4.892 18.323 2.082 1.00 64.01 O ATOM 0 H ASP A 18 -3.958 14.631 5.018 1.00 64.23 H new ATOM 0 HA ASP A 18 -2.315 15.283 2.636 1.00 41.35 H new ATOM 0 HB2 ASP A 18 -4.685 15.293 1.954 1.00 70.12 H new ATOM 0 HB3 ASP A 18 -5.131 16.224 3.370 1.00 70.12 H new ATOM 298 N GLY A 19 -1.745 17.629 3.528 1.00 1.42 N ATOM 299 CA GLY A 19 -1.248 18.850 4.165 1.00 11.41 C ATOM 300 C GLY A 19 -0.093 18.672 5.151 1.00 53.33 C ATOM 301 O GLY A 19 0.250 19.608 5.875 1.00 75.33 O ATOM 0 H GLY A 19 -1.506 17.545 2.540 1.00 1.42 H new ATOM 0 HA2 GLY A 19 -0.929 19.539 3.383 1.00 11.41 H new ATOM 0 HA3 GLY A 19 -2.077 19.325 4.690 1.00 11.41 H new ATOM 305 N LYS A 20 0.502 17.487 5.211 1.00 10.43 N ATOM 306 CA LYS A 20 1.666 17.270 6.081 1.00 55.21 C ATOM 307 C LYS A 20 2.928 17.974 5.544 1.00 44.33 C ATOM 308 O LYS A 20 3.716 17.374 4.814 1.00 13.31 O ATOM 309 CB LYS A 20 1.957 15.775 6.248 1.00 44.40 C ATOM 310 CG LYS A 20 0.937 15.018 7.087 1.00 11.10 C ATOM 311 CD LYS A 20 1.396 13.581 7.316 1.00 33.10 C ATOM 312 CE LYS A 20 0.530 12.841 8.321 1.00 74.13 C ATOM 313 NZ LYS A 20 1.105 11.512 8.655 1.00 64.21 N ATOM 0 H LYS A 20 0.208 16.668 4.678 1.00 10.43 H new ATOM 0 HA LYS A 20 1.414 17.703 7.049 1.00 55.21 H new ATOM 0 HB2 LYS A 20 2.007 15.316 5.261 1.00 44.40 H new ATOM 0 HB3 LYS A 20 2.940 15.659 6.704 1.00 44.40 H new ATOM 0 HG2 LYS A 20 0.801 15.520 8.045 1.00 11.10 H new ATOM 0 HG3 LYS A 20 -0.030 15.022 6.585 1.00 11.10 H new ATOM 0 HD2 LYS A 20 1.383 13.045 6.367 1.00 33.10 H new ATOM 0 HD3 LYS A 20 2.428 13.585 7.666 1.00 33.10 H new ATOM 0 HE2 LYS A 20 0.434 13.436 9.229 1.00 74.13 H new ATOM 0 HE3 LYS A 20 -0.474 12.714 7.915 1.00 74.13 H new ATOM 0 HZ1 LYS A 20 1.023 11.345 9.678 1.00 64.21 H new ATOM 0 HZ2 LYS A 20 0.587 10.771 8.141 1.00 64.21 H new ATOM 0 HZ3 LYS A 20 2.108 11.488 8.380 1.00 64.21 H new ATOM 327 N GLU A 21 3.112 19.247 5.891 1.00 11.33 N ATOM 328 CA GLU A 21 4.329 19.974 5.507 1.00 73.21 C ATOM 329 C GLU A 21 5.481 19.683 6.490 1.00 64.43 C ATOM 330 O GLU A 21 5.460 20.119 7.642 1.00 14.15 O ATOM 331 CB GLU A 21 4.067 21.491 5.420 1.00 11.20 C ATOM 332 CG GLU A 21 3.452 22.108 6.676 1.00 73.30 C ATOM 333 CD GLU A 21 3.440 23.633 6.640 1.00 61.14 C ATOM 334 OE1 GLU A 21 2.740 24.207 5.784 1.00 12.14 O ATOM 335 OE2 GLU A 21 4.130 24.263 7.472 1.00 44.52 O ATOM 0 H GLU A 21 2.443 19.795 6.432 1.00 11.33 H new ATOM 0 HA GLU A 21 4.624 19.622 4.519 1.00 73.21 H new ATOM 0 HB2 GLU A 21 5.009 21.997 5.208 1.00 11.20 H new ATOM 0 HB3 GLU A 21 3.405 21.683 4.576 1.00 11.20 H new ATOM 0 HG2 GLU A 21 2.431 21.744 6.792 1.00 73.30 H new ATOM 0 HG3 GLU A 21 4.011 21.774 7.550 1.00 73.30 H new ATOM 342 N VAL A 22 6.484 18.934 6.031 1.00 33.40 N ATOM 343 CA VAL A 22 7.637 18.588 6.863 1.00 40.44 C ATOM 344 C VAL A 22 8.743 19.650 6.755 1.00 40.24 C ATOM 345 O VAL A 22 9.665 19.556 5.940 1.00 22.11 O ATOM 346 CB VAL A 22 8.193 17.171 6.528 1.00 22.21 C ATOM 347 CG1 VAL A 22 7.184 16.094 6.932 1.00 21.42 C ATOM 348 CG2 VAL A 22 8.544 17.037 5.044 1.00 72.20 C ATOM 0 H VAL A 22 6.521 18.554 5.085 1.00 33.40 H new ATOM 0 HA VAL A 22 7.288 18.566 7.895 1.00 40.44 H new ATOM 0 HB VAL A 22 9.111 17.034 7.100 1.00 22.21 H new ATOM 0 HG11 VAL A 22 7.586 15.110 6.692 1.00 21.42 H new ATOM 0 HG12 VAL A 22 6.994 16.157 8.004 1.00 21.42 H new ATOM 0 HG13 VAL A 22 6.251 16.247 6.389 1.00 21.42 H new ATOM 0 HG21 VAL A 22 8.928 16.036 4.850 1.00 72.20 H new ATOM 0 HG22 VAL A 22 7.651 17.206 4.442 1.00 72.20 H new ATOM 0 HG23 VAL A 22 9.303 17.774 4.782 1.00 72.20 H new ATOM 358 N HIS A 23 8.636 20.677 7.594 1.00 72.14 N ATOM 359 CA HIS A 23 9.595 21.795 7.596 1.00 61.45 C ATOM 360 C HIS A 23 11.005 21.340 8.013 1.00 43.14 C ATOM 361 O HIS A 23 11.960 22.111 7.973 1.00 51.23 O ATOM 362 CB HIS A 23 9.087 22.916 8.517 1.00 54.44 C ATOM 363 CG HIS A 23 9.711 24.267 8.283 1.00 11.32 C ATOM 364 ND1 HIS A 23 9.196 25.425 8.823 1.00 61.44 N ATOM 365 CD2 HIS A 23 10.797 24.652 7.565 1.00 1.24 C ATOM 366 CE1 HIS A 23 9.931 26.452 8.452 1.00 35.34 C ATOM 367 NE2 HIS A 23 10.912 26.016 7.689 1.00 41.23 N ATOM 0 H HIS A 23 7.893 20.764 8.287 1.00 72.14 H new ATOM 0 HA HIS A 23 9.672 22.176 6.578 1.00 61.45 H new ATOM 0 HB2 HIS A 23 8.008 23.005 8.394 1.00 54.44 H new ATOM 0 HB3 HIS A 23 9.267 22.624 9.552 1.00 54.44 H new ATOM 0 HD2 HIS A 23 11.451 24.005 7.000 1.00 1.24 H new ATOM 0 HE1 HIS A 23 9.758 27.482 8.728 1.00 35.34 H new ATOM 0 HE2 HIS A 23 11.636 26.594 7.262 1.00 41.23 H new ATOM 491 N TYR A 32 11.380 26.396 2.524 1.00 71.23 N ATOM 492 CA TYR A 32 10.804 25.390 1.617 1.00 60.41 C ATOM 493 C TYR A 32 10.446 24.099 2.374 1.00 62.40 C ATOM 494 O TYR A 32 11.186 23.651 3.253 1.00 5.20 O ATOM 495 CB TYR A 32 11.731 25.098 0.414 1.00 23.14 C ATOM 496 CG TYR A 32 13.091 24.490 0.742 1.00 43.31 C ATOM 497 CD1 TYR A 32 13.267 23.109 0.825 1.00 65.04 C ATOM 498 CD2 TYR A 32 14.208 25.299 0.929 1.00 1.32 C ATOM 499 CE1 TYR A 32 14.511 22.561 1.093 1.00 1.31 C ATOM 500 CE2 TYR A 32 15.453 24.756 1.188 1.00 44.32 C ATOM 501 CZ TYR A 32 15.601 23.389 1.270 1.00 51.53 C ATOM 502 OH TYR A 32 16.847 22.849 1.526 1.00 30.03 O ATOM 0 HA TYR A 32 9.881 25.809 1.215 1.00 60.41 H new ATOM 0 HB2 TYR A 32 11.209 24.423 -0.264 1.00 23.14 H new ATOM 0 HB3 TYR A 32 11.894 26.030 -0.127 1.00 23.14 H new ATOM 0 HD1 TYR A 32 12.420 22.456 0.678 1.00 65.04 H new ATOM 0 HD2 TYR A 32 14.100 26.372 0.871 1.00 1.32 H new ATOM 0 HE1 TYR A 32 14.627 21.490 1.163 1.00 1.31 H new ATOM 0 HE2 TYR A 32 16.307 25.402 1.326 1.00 44.32 H new ATOM 0 HH TYR A 32 17.503 23.571 1.623 1.00 30.03 H new ATOM 512 N LYS A 33 9.296 23.515 2.036 1.00 44.01 N ATOM 513 CA LYS A 33 8.754 22.370 2.783 1.00 74.05 C ATOM 514 C LYS A 33 8.235 21.267 1.845 1.00 12.25 C ATOM 515 O LYS A 33 7.475 21.538 0.910 1.00 3.30 O ATOM 516 CB LYS A 33 7.595 22.832 3.684 1.00 52.54 C ATOM 517 CG LYS A 33 7.929 24.013 4.595 1.00 23.30 C ATOM 518 CD LYS A 33 6.697 24.502 5.354 1.00 20.13 C ATOM 519 CE LYS A 33 6.972 25.783 6.133 1.00 73.34 C ATOM 520 NZ LYS A 33 5.764 26.262 6.856 1.00 33.12 N ATOM 0 H LYS A 33 8.718 23.813 1.250 1.00 44.01 H new ATOM 0 HA LYS A 33 9.568 21.962 3.383 1.00 74.05 H new ATOM 0 HB2 LYS A 33 6.748 23.104 3.054 1.00 52.54 H new ATOM 0 HB3 LYS A 33 7.275 21.993 4.302 1.00 52.54 H new ATOM 0 HG2 LYS A 33 8.702 23.719 5.305 1.00 23.30 H new ATOM 0 HG3 LYS A 33 8.338 24.829 3.999 1.00 23.30 H new ATOM 0 HD2 LYS A 33 5.883 24.675 4.650 1.00 20.13 H new ATOM 0 HD3 LYS A 33 6.364 23.725 6.042 1.00 20.13 H new ATOM 0 HE2 LYS A 33 7.777 25.608 6.847 1.00 73.34 H new ATOM 0 HE3 LYS A 33 7.316 26.558 5.448 1.00 73.34 H new ATOM 0 HZ1 LYS A 33 6.031 26.568 7.813 1.00 33.12 H new ATOM 0 HZ2 LYS A 33 5.346 27.063 6.341 1.00 33.12 H new ATOM 0 HZ3 LYS A 33 5.069 25.491 6.920 1.00 33.12 H new ATOM 534 N ASP A 34 8.634 20.027 2.109 1.00 2.11 N ATOM 535 CA ASP A 34 8.087 18.865 1.401 1.00 51.21 C ATOM 536 C ASP A 34 6.791 18.392 2.084 1.00 61.15 C ATOM 537 O ASP A 34 6.542 18.710 3.249 1.00 13.54 O ATOM 538 CB ASP A 34 9.113 17.717 1.384 1.00 51.54 C ATOM 539 CG ASP A 34 10.355 18.021 0.556 1.00 31.34 C ATOM 540 OD1 ASP A 34 10.821 19.179 0.566 1.00 4.33 O ATOM 541 OD2 ASP A 34 10.889 17.087 -0.087 1.00 2.34 O ATOM 0 H ASP A 34 9.337 19.796 2.811 1.00 2.11 H new ATOM 0 HA ASP A 34 7.866 19.157 0.374 1.00 51.21 H new ATOM 0 HB2 ASP A 34 9.414 17.495 2.408 1.00 51.54 H new ATOM 0 HB3 ASP A 34 8.635 16.820 0.991 1.00 51.54 H new ATOM 546 N TYR A 35 5.964 17.641 1.362 1.00 43.44 N ATOM 547 CA TYR A 35 4.710 17.115 1.921 1.00 42.43 C ATOM 548 C TYR A 35 4.795 15.600 2.158 1.00 50.34 C ATOM 549 O TYR A 35 5.346 14.865 1.337 1.00 31.21 O ATOM 550 CB TYR A 35 3.535 17.452 0.994 1.00 20.21 C ATOM 551 CG TYR A 35 3.311 18.943 0.830 1.00 34.55 C ATOM 552 CD1 TYR A 35 3.965 19.661 -0.165 1.00 32.55 C ATOM 553 CD2 TYR A 35 2.456 19.636 1.683 1.00 72.30 C ATOM 554 CE1 TYR A 35 3.771 21.020 -0.309 1.00 15.10 C ATOM 555 CE2 TYR A 35 2.258 20.998 1.543 1.00 32.31 C ATOM 556 CZ TYR A 35 2.919 21.684 0.546 1.00 32.53 C ATOM 557 OH TYR A 35 2.728 23.043 0.403 1.00 31.14 O ATOM 0 H TYR A 35 6.134 17.380 0.391 1.00 43.44 H new ATOM 0 HA TYR A 35 4.544 17.591 2.887 1.00 42.43 H new ATOM 0 HB2 TYR A 35 3.715 17.008 0.015 1.00 20.21 H new ATOM 0 HB3 TYR A 35 2.627 16.996 1.389 1.00 20.21 H new ATOM 0 HD1 TYR A 35 4.636 19.147 -0.837 1.00 32.55 H new ATOM 0 HD2 TYR A 35 1.939 19.102 2.466 1.00 72.30 H new ATOM 0 HE1 TYR A 35 4.285 21.561 -1.089 1.00 15.10 H new ATOM 0 HE2 TYR A 35 1.590 21.521 2.211 1.00 32.31 H new ATOM 0 HH TYR A 35 2.097 23.358 1.083 1.00 31.14 H new ATOM 567 N GLU A 36 4.242 15.141 3.280 1.00 3.14 N ATOM 568 CA GLU A 36 4.316 13.721 3.661 1.00 24.34 C ATOM 569 C GLU A 36 2.997 12.991 3.380 1.00 51.35 C ATOM 570 O GLU A 36 1.936 13.406 3.842 1.00 73.43 O ATOM 571 CB GLU A 36 4.664 13.572 5.154 1.00 72.00 C ATOM 572 CG GLU A 36 4.747 12.114 5.623 1.00 61.32 C ATOM 573 CD GLU A 36 4.903 11.971 7.134 1.00 43.11 C ATOM 574 OE1 GLU A 36 6.029 12.159 7.639 1.00 3.32 O ATOM 575 OE2 GLU A 36 3.902 11.657 7.821 1.00 51.42 O ATOM 0 H GLU A 36 3.737 15.727 3.944 1.00 3.14 H new ATOM 0 HA GLU A 36 5.102 13.271 3.055 1.00 24.34 H new ATOM 0 HB2 GLU A 36 5.619 14.062 5.347 1.00 72.00 H new ATOM 0 HB3 GLU A 36 3.913 14.093 5.747 1.00 72.00 H new ATOM 0 HG2 GLU A 36 3.847 11.587 5.307 1.00 61.32 H new ATOM 0 HG3 GLU A 36 5.590 11.629 5.131 1.00 61.32 H new ATOM 582 N TYR A 37 3.074 11.902 2.620 1.00 75.22 N ATOM 583 CA TYR A 37 1.910 11.046 2.379 1.00 22.14 C ATOM 584 C TYR A 37 2.199 9.596 2.802 1.00 44.23 C ATOM 585 O TYR A 37 2.699 8.794 2.010 1.00 54.15 O ATOM 586 CB TYR A 37 1.499 11.103 0.899 1.00 34.24 C ATOM 587 CG TYR A 37 1.137 12.501 0.419 1.00 54.22 C ATOM 588 CD1 TYR A 37 -0.152 13.002 0.580 1.00 4.32 C ATOM 589 CD2 TYR A 37 2.084 13.320 -0.192 1.00 13.11 C ATOM 590 CE1 TYR A 37 -0.487 14.271 0.145 1.00 70.42 C ATOM 591 CE2 TYR A 37 1.757 14.591 -0.627 1.00 33.34 C ATOM 592 CZ TYR A 37 0.470 15.062 -0.457 1.00 45.24 C ATOM 593 OH TYR A 37 0.139 16.324 -0.897 1.00 42.24 O ATOM 0 H TYR A 37 3.929 11.589 2.159 1.00 75.22 H new ATOM 0 HA TYR A 37 1.083 11.418 2.984 1.00 22.14 H new ATOM 0 HB2 TYR A 37 2.317 10.719 0.289 1.00 34.24 H new ATOM 0 HB3 TYR A 37 0.646 10.442 0.742 1.00 34.24 H new ATOM 0 HD1 TYR A 37 -0.904 12.388 1.053 1.00 4.32 H new ATOM 0 HD2 TYR A 37 3.091 12.956 -0.328 1.00 13.11 H new ATOM 0 HE1 TYR A 37 -1.493 14.641 0.276 1.00 70.42 H new ATOM 0 HE2 TYR A 37 2.505 15.213 -1.097 1.00 33.34 H new ATOM 0 HH TYR A 37 0.451 16.989 -0.248 1.00 42.24 H new ATOM 603 N LYS A 38 1.920 9.280 4.068 1.00 74.12 N ATOM 604 CA LYS A 38 2.087 7.917 4.583 1.00 24.44 C ATOM 605 C LYS A 38 0.736 7.196 4.653 1.00 24.35 C ATOM 606 O LYS A 38 -0.186 7.650 5.330 1.00 11.44 O ATOM 607 CB LYS A 38 2.755 7.933 5.964 1.00 71.25 C ATOM 608 CG LYS A 38 2.973 6.536 6.546 1.00 30.12 C ATOM 609 CD LYS A 38 4.002 6.541 7.671 1.00 55.30 C ATOM 610 CE LYS A 38 4.263 5.134 8.193 1.00 24.30 C ATOM 611 NZ LYS A 38 5.538 5.056 8.948 1.00 50.03 N ATOM 0 H LYS A 38 1.577 9.949 4.757 1.00 74.12 H new ATOM 0 HA LYS A 38 2.735 7.374 3.895 1.00 24.44 H new ATOM 0 HB2 LYS A 38 3.716 8.442 5.889 1.00 71.25 H new ATOM 0 HB3 LYS A 38 2.139 8.513 6.651 1.00 71.25 H new ATOM 0 HG2 LYS A 38 2.026 6.148 6.922 1.00 30.12 H new ATOM 0 HG3 LYS A 38 3.303 5.861 5.756 1.00 30.12 H new ATOM 0 HD2 LYS A 38 4.934 6.976 7.311 1.00 55.30 H new ATOM 0 HD3 LYS A 38 3.649 7.173 8.486 1.00 55.30 H new ATOM 0 HE2 LYS A 38 3.439 4.826 8.837 1.00 24.30 H new ATOM 0 HE3 LYS A 38 4.292 4.435 7.357 1.00 24.30 H new ATOM 0 HZ1 LYS A 38 5.624 4.117 9.387 1.00 50.03 H new ATOM 0 HZ2 LYS A 38 6.336 5.209 8.299 1.00 50.03 H new ATOM 0 HZ3 LYS A 38 5.549 5.787 9.688 1.00 50.03 H new ATOM 625 N LEU A 39 0.632 6.072 3.959 1.00 23.34 N ATOM 626 CA LEU A 39 -0.647 5.373 3.815 1.00 32.12 C ATOM 627 C LEU A 39 -0.468 3.874 3.521 1.00 4.42 C ATOM 628 O LEU A 39 0.656 3.386 3.371 1.00 34.00 O ATOM 629 CB LEU A 39 -1.472 6.057 2.706 1.00 73.13 C ATOM 630 CG LEU A 39 -0.657 6.613 1.516 1.00 23.43 C ATOM 631 CD1 LEU A 39 0.048 5.500 0.745 1.00 33.23 C ATOM 632 CD2 LEU A 39 -1.542 7.441 0.589 1.00 40.11 C ATOM 0 H LEU A 39 1.415 5.621 3.485 1.00 23.34 H new ATOM 0 HA LEU A 39 -1.179 5.436 4.764 1.00 32.12 H new ATOM 0 HB2 LEU A 39 -2.198 5.340 2.323 1.00 73.13 H new ATOM 0 HB3 LEU A 39 -2.037 6.876 3.151 1.00 73.13 H new ATOM 0 HG LEU A 39 0.114 7.266 1.926 1.00 23.43 H new ATOM 0 HD11 LEU A 39 0.610 5.931 -0.083 1.00 33.23 H new ATOM 0 HD12 LEU A 39 0.731 4.972 1.411 1.00 33.23 H new ATOM 0 HD13 LEU A 39 -0.693 4.801 0.356 1.00 33.23 H new ATOM 0 HD21 LEU A 39 -0.945 7.821 -0.240 1.00 40.11 H new ATOM 0 HD22 LEU A 39 -2.347 6.817 0.201 1.00 40.11 H new ATOM 0 HD23 LEU A 39 -1.967 8.278 1.143 1.00 40.11 H new ATOM 644 N THR A 40 -1.588 3.152 3.447 1.00 23.13 N ATOM 645 CA THR A 40 -1.575 1.715 3.148 1.00 1.44 C ATOM 646 C THR A 40 -1.762 1.460 1.646 1.00 43.00 C ATOM 647 O THR A 40 -2.794 1.810 1.067 1.00 40.32 O ATOM 648 CB THR A 40 -2.683 0.964 3.929 1.00 61.44 C ATOM 649 OG1 THR A 40 -2.509 1.161 5.341 1.00 1.41 O ATOM 650 CG2 THR A 40 -2.665 -0.530 3.622 1.00 63.12 C ATOM 0 H THR A 40 -2.521 3.540 3.590 1.00 23.13 H new ATOM 0 HA THR A 40 -0.601 1.337 3.460 1.00 1.44 H new ATOM 0 HB THR A 40 -3.644 1.370 3.614 1.00 61.44 H new ATOM 0 HG1 THR A 40 -3.214 0.685 5.827 1.00 1.41 H new ATOM 0 HG21 THR A 40 -3.454 -1.027 4.186 1.00 63.12 H new ATOM 0 HG22 THR A 40 -2.829 -0.684 2.555 1.00 63.12 H new ATOM 0 HG23 THR A 40 -1.699 -0.948 3.905 1.00 63.12 H new ATOM 658 N GLY A 41 -0.759 0.852 1.023 1.00 14.15 N ATOM 659 CA GLY A 41 -0.822 0.560 -0.404 1.00 44.33 C ATOM 660 C GLY A 41 -1.238 -0.872 -0.703 1.00 33.33 C ATOM 661 O GLY A 41 -0.727 -1.814 -0.094 1.00 45.14 O ATOM 0 H GLY A 41 0.102 0.553 1.480 1.00 14.15 H new ATOM 0 HA2 GLY A 41 -1.527 1.243 -0.878 1.00 44.33 H new ATOM 0 HA3 GLY A 41 0.154 0.749 -0.851 1.00 44.33 H new ATOM 665 N PHE A 42 -2.168 -1.035 -1.643 1.00 24.04 N ATOM 666 CA PHE A 42 -2.666 -2.361 -2.025 1.00 2.54 C ATOM 667 C PHE A 42 -2.050 -2.824 -3.361 1.00 24.33 C ATOM 668 O PHE A 42 -2.257 -2.197 -4.402 1.00 1.32 O ATOM 669 CB PHE A 42 -4.198 -2.330 -2.129 1.00 40.32 C ATOM 670 CG PHE A 42 -4.870 -1.776 -0.893 1.00 63.22 C ATOM 671 CD1 PHE A 42 -4.983 -2.544 0.257 1.00 22.22 C ATOM 672 CD2 PHE A 42 -5.381 -0.484 -0.879 1.00 41.10 C ATOM 673 CE1 PHE A 42 -5.590 -2.040 1.391 1.00 24.23 C ATOM 674 CE2 PHE A 42 -5.990 0.025 0.254 1.00 3.21 C ATOM 675 CZ PHE A 42 -6.095 -0.753 1.389 1.00 4.32 C ATOM 0 H PHE A 42 -2.595 -0.264 -2.157 1.00 24.04 H new ATOM 0 HA PHE A 42 -2.370 -3.074 -1.255 1.00 2.54 H new ATOM 0 HB2 PHE A 42 -4.485 -1.728 -2.991 1.00 40.32 H new ATOM 0 HB3 PHE A 42 -4.563 -3.341 -2.311 1.00 40.32 H new ATOM 0 HD1 PHE A 42 -4.591 -3.550 0.266 1.00 22.22 H new ATOM 0 HD2 PHE A 42 -5.302 0.130 -1.764 1.00 41.10 H new ATOM 0 HE1 PHE A 42 -5.670 -2.651 2.278 1.00 24.23 H new ATOM 0 HE2 PHE A 42 -6.383 1.031 0.250 1.00 3.21 H new ATOM 0 HZ PHE A 42 -6.571 -0.357 2.274 1.00 4.32 H new ATOM 685 N ASP A 43 -1.283 -3.913 -3.313 1.00 13.43 N ATOM 686 CA ASP A 43 -0.619 -4.466 -4.505 1.00 10.45 C ATOM 687 C ASP A 43 -1.555 -5.354 -5.349 1.00 52.44 C ATOM 688 O ASP A 43 -2.727 -5.553 -5.015 1.00 72.02 O ATOM 689 CB ASP A 43 0.618 -5.267 -4.078 1.00 33.13 C ATOM 690 CG ASP A 43 0.329 -6.176 -2.898 1.00 21.10 C ATOM 691 OD1 ASP A 43 -0.183 -7.291 -3.110 1.00 31.55 O ATOM 692 OD2 ASP A 43 0.586 -5.763 -1.751 1.00 33.53 O ATOM 0 H ASP A 43 -1.102 -4.437 -2.457 1.00 13.43 H new ATOM 0 HA ASP A 43 -0.326 -3.625 -5.134 1.00 10.45 H new ATOM 0 HB2 ASP A 43 0.970 -5.865 -4.918 1.00 33.13 H new ATOM 0 HB3 ASP A 43 1.423 -4.579 -3.817 1.00 33.13 H new ATOM 697 N LYS A 44 -1.015 -5.891 -6.445 1.00 20.02 N ATOM 698 CA LYS A 44 -1.780 -6.758 -7.351 1.00 44.14 C ATOM 699 C LYS A 44 -2.182 -8.082 -6.676 1.00 34.10 C ATOM 700 O LYS A 44 -3.245 -8.633 -6.963 1.00 50.42 O ATOM 701 CB LYS A 44 -0.971 -7.042 -8.626 1.00 14.12 C ATOM 702 CG LYS A 44 -0.666 -5.799 -9.461 1.00 64.10 C ATOM 703 CD LYS A 44 0.128 -6.147 -10.717 1.00 22.03 C ATOM 704 CE LYS A 44 0.439 -4.911 -11.556 1.00 1.32 C ATOM 705 NZ LYS A 44 -0.790 -4.279 -12.112 1.00 21.25 N ATOM 0 H LYS A 44 -0.047 -5.741 -6.730 1.00 20.02 H new ATOM 0 HA LYS A 44 -2.696 -6.228 -7.614 1.00 44.14 H new ATOM 0 HB2 LYS A 44 -0.031 -7.520 -8.348 1.00 14.12 H new ATOM 0 HB3 LYS A 44 -1.521 -7.754 -9.241 1.00 14.12 H new ATOM 0 HG2 LYS A 44 -1.599 -5.312 -9.743 1.00 64.10 H new ATOM 0 HG3 LYS A 44 -0.103 -5.085 -8.860 1.00 64.10 H new ATOM 0 HD2 LYS A 44 1.060 -6.637 -10.433 1.00 22.03 H new ATOM 0 HD3 LYS A 44 -0.437 -6.860 -11.317 1.00 22.03 H new ATOM 0 HE2 LYS A 44 0.973 -4.184 -10.944 1.00 1.32 H new ATOM 0 HE3 LYS A 44 1.104 -5.188 -12.374 1.00 1.32 H new ATOM 0 HZ1 LYS A 44 -0.551 -3.350 -12.513 1.00 21.25 H new ATOM 0 HZ2 LYS A 44 -1.186 -4.887 -12.857 1.00 21.25 H new ATOM 0 HZ3 LYS A 44 -1.492 -4.159 -11.354 1.00 21.25 H new ATOM 719 N ASP A 45 -1.331 -8.589 -5.783 1.00 52.11 N ATOM 720 CA ASP A 45 -1.628 -9.822 -5.053 1.00 52.13 C ATOM 721 C ASP A 45 -2.818 -9.614 -4.104 1.00 1.24 C ATOM 722 O ASP A 45 -3.788 -10.380 -4.112 1.00 53.04 O ATOM 723 CB ASP A 45 -0.398 -10.280 -4.258 1.00 72.05 C ATOM 724 CG ASP A 45 0.806 -10.550 -5.144 1.00 52.01 C ATOM 725 OD1 ASP A 45 0.965 -11.704 -5.604 1.00 54.35 O ATOM 726 OD2 ASP A 45 1.606 -9.618 -5.381 1.00 44.21 O ATOM 0 H ASP A 45 -0.433 -8.166 -5.548 1.00 52.11 H new ATOM 0 HA ASP A 45 -1.889 -10.594 -5.777 1.00 52.13 H new ATOM 0 HB2 ASP A 45 -0.140 -9.516 -3.524 1.00 72.05 H new ATOM 0 HB3 ASP A 45 -0.646 -11.185 -3.703 1.00 72.05 H new ATOM 731 N GLY A 46 -2.742 -8.557 -3.305 1.00 33.42 N ATOM 732 CA GLY A 46 -3.793 -8.250 -2.348 1.00 10.21 C ATOM 733 C GLY A 46 -3.280 -8.167 -0.915 1.00 65.02 C ATOM 734 O GLY A 46 -3.920 -8.665 0.013 1.00 22.30 O ATOM 0 H GLY A 46 -1.963 -7.899 -3.302 1.00 33.42 H new ATOM 0 HA2 GLY A 46 -4.259 -7.302 -2.618 1.00 10.21 H new ATOM 0 HA3 GLY A 46 -4.568 -9.014 -2.408 1.00 10.21 H new ATOM 738 N LYS A 47 -2.112 -7.557 -0.736 1.00 1.44 N ATOM 739 CA LYS A 47 -1.523 -7.370 0.595 1.00 61.32 C ATOM 740 C LYS A 47 -1.638 -5.903 1.042 1.00 2.35 C ATOM 741 O LYS A 47 -2.208 -5.066 0.333 1.00 2.55 O ATOM 742 CB LYS A 47 -0.049 -7.804 0.583 1.00 53.54 C ATOM 743 CG LYS A 47 0.176 -9.210 0.037 1.00 53.45 C ATOM 744 CD LYS A 47 1.654 -9.594 0.056 1.00 41.23 C ATOM 745 CE LYS A 47 1.900 -10.946 -0.607 1.00 53.41 C ATOM 746 NZ LYS A 47 1.128 -12.042 0.038 1.00 51.53 N ATOM 0 H LYS A 47 -1.548 -7.180 -1.498 1.00 1.44 H new ATOM 0 HA LYS A 47 -2.072 -7.989 1.305 1.00 61.32 H new ATOM 0 HB2 LYS A 47 0.523 -7.096 -0.016 1.00 53.54 H new ATOM 0 HB3 LYS A 47 0.343 -7.752 1.599 1.00 53.54 H new ATOM 0 HG2 LYS A 47 -0.394 -9.926 0.630 1.00 53.45 H new ATOM 0 HG3 LYS A 47 -0.202 -9.269 -0.984 1.00 53.45 H new ATOM 0 HD2 LYS A 47 2.235 -8.827 -0.457 1.00 41.23 H new ATOM 0 HD3 LYS A 47 2.008 -9.626 1.087 1.00 41.23 H new ATOM 0 HE2 LYS A 47 1.629 -10.886 -1.661 1.00 53.41 H new ATOM 0 HE3 LYS A 47 2.964 -11.180 -0.564 1.00 53.41 H new ATOM 0 HZ1 LYS A 47 1.416 -12.955 -0.368 1.00 51.53 H new ATOM 0 HZ2 LYS A 47 1.315 -12.043 1.061 1.00 51.53 H new ATOM 0 HZ3 LYS A 47 0.112 -11.895 -0.128 1.00 51.53 H new ATOM 760 N GLU A 48 -1.124 -5.601 2.233 1.00 12.12 N ATOM 761 CA GLU A 48 -1.099 -4.222 2.743 1.00 14.30 C ATOM 762 C GLU A 48 0.345 -3.752 2.988 1.00 33.31 C ATOM 763 O GLU A 48 1.014 -4.206 3.921 1.00 43.41 O ATOM 764 CB GLU A 48 -1.919 -4.111 4.038 1.00 73.50 C ATOM 765 CG GLU A 48 -3.414 -4.338 3.838 1.00 15.23 C ATOM 766 CD GLU A 48 -4.207 -4.216 5.132 1.00 35.24 C ATOM 767 OE1 GLU A 48 -4.522 -3.078 5.541 1.00 3.22 O ATOM 768 OE2 GLU A 48 -4.520 -5.261 5.744 1.00 64.32 O ATOM 0 H GLU A 48 -0.718 -6.290 2.867 1.00 12.12 H new ATOM 0 HA GLU A 48 -1.547 -3.576 1.988 1.00 14.30 H new ATOM 0 HB2 GLU A 48 -1.543 -4.837 4.759 1.00 73.50 H new ATOM 0 HB3 GLU A 48 -1.765 -3.123 4.471 1.00 73.50 H new ATOM 0 HG2 GLU A 48 -3.793 -3.616 3.115 1.00 15.23 H new ATOM 0 HG3 GLU A 48 -3.573 -5.329 3.412 1.00 15.23 H new ATOM 775 N LYS A 49 0.828 -2.859 2.129 1.00 31.23 N ATOM 776 CA LYS A 49 2.191 -2.323 2.237 1.00 23.23 C ATOM 777 C LYS A 49 2.190 -0.953 2.933 1.00 70.25 C ATOM 778 O LYS A 49 1.357 -0.099 2.631 1.00 11.21 O ATOM 779 CB LYS A 49 2.795 -2.179 0.835 1.00 62.33 C ATOM 780 CG LYS A 49 4.276 -1.796 0.802 1.00 14.24 C ATOM 781 CD LYS A 49 5.180 -2.966 1.191 1.00 31.31 C ATOM 782 CE LYS A 49 6.657 -2.629 1.004 1.00 1.04 C ATOM 783 NZ LYS A 49 7.538 -3.781 1.335 1.00 64.33 N ATOM 0 H LYS A 49 0.295 -2.486 1.343 1.00 31.23 H new ATOM 0 HA LYS A 49 2.787 -3.014 2.833 1.00 23.23 H new ATOM 0 HB2 LYS A 49 2.668 -3.122 0.303 1.00 62.33 H new ATOM 0 HB3 LYS A 49 2.229 -1.425 0.288 1.00 62.33 H new ATOM 0 HG2 LYS A 49 4.539 -1.452 -0.198 1.00 14.24 H new ATOM 0 HG3 LYS A 49 4.450 -0.962 1.482 1.00 14.24 H new ATOM 0 HD2 LYS A 49 4.998 -3.236 2.231 1.00 31.31 H new ATOM 0 HD3 LYS A 49 4.927 -3.837 0.587 1.00 31.31 H new ATOM 0 HE2 LYS A 49 6.831 -2.324 -0.028 1.00 1.04 H new ATOM 0 HE3 LYS A 49 6.918 -1.780 1.636 1.00 1.04 H new ATOM 0 HZ1 LYS A 49 8.532 -3.509 1.195 1.00 64.33 H new ATOM 0 HZ2 LYS A 49 7.391 -4.056 2.327 1.00 64.33 H new ATOM 0 HZ3 LYS A 49 7.308 -4.584 0.715 1.00 64.33 H new ATOM 797 N GLU A 50 3.122 -0.745 3.859 1.00 40.33 N ATOM 798 CA GLU A 50 3.262 0.555 4.527 1.00 61.55 C ATOM 799 C GLU A 50 4.328 1.407 3.821 1.00 5.20 C ATOM 800 O GLU A 50 5.501 1.027 3.767 1.00 11.13 O ATOM 801 CB GLU A 50 3.646 0.375 6.004 1.00 41.24 C ATOM 802 CG GLU A 50 3.644 1.681 6.796 1.00 51.24 C ATOM 803 CD GLU A 50 4.235 1.540 8.190 1.00 74.24 C ATOM 804 OE1 GLU A 50 3.579 0.939 9.067 1.00 41.03 O ATOM 805 OE2 GLU A 50 5.355 2.041 8.421 1.00 73.24 O ATOM 0 H GLU A 50 3.790 -1.452 4.166 1.00 40.33 H new ATOM 0 HA GLU A 50 2.299 1.063 4.474 1.00 61.55 H new ATOM 0 HB2 GLU A 50 2.951 -0.324 6.469 1.00 41.24 H new ATOM 0 HB3 GLU A 50 4.637 -0.074 6.062 1.00 41.24 H new ATOM 0 HG2 GLU A 50 4.208 2.433 6.244 1.00 51.24 H new ATOM 0 HG3 GLU A 50 2.620 2.046 6.878 1.00 51.24 H new ATOM 812 N LEU A 51 3.922 2.550 3.276 1.00 25.44 N ATOM 813 CA LEU A 51 4.851 3.435 2.564 1.00 75.11 C ATOM 814 C LEU A 51 4.555 4.914 2.842 1.00 63.41 C ATOM 815 O LEU A 51 3.396 5.328 2.934 1.00 14.12 O ATOM 816 CB LEU A 51 4.822 3.173 1.042 1.00 73.23 C ATOM 817 CG LEU A 51 3.490 3.469 0.315 1.00 1.03 C ATOM 818 CD1 LEU A 51 3.688 3.464 -1.198 1.00 35.05 C ATOM 819 CD2 LEU A 51 2.409 2.461 0.701 1.00 72.51 C ATOM 0 H LEU A 51 2.960 2.888 3.311 1.00 25.44 H new ATOM 0 HA LEU A 51 5.849 3.209 2.940 1.00 75.11 H new ATOM 0 HB2 LEU A 51 5.604 3.773 0.578 1.00 73.23 H new ATOM 0 HB3 LEU A 51 5.079 2.128 0.871 1.00 73.23 H new ATOM 0 HG LEU A 51 3.161 4.460 0.627 1.00 1.03 H new ATOM 0 HD11 LEU A 51 2.738 3.674 -1.690 1.00 35.05 H new ATOM 0 HD12 LEU A 51 4.416 4.228 -1.472 1.00 35.05 H new ATOM 0 HD13 LEU A 51 4.052 2.486 -1.514 1.00 35.05 H new ATOM 0 HD21 LEU A 51 1.486 2.698 0.172 1.00 72.51 H new ATOM 0 HD22 LEU A 51 2.735 1.457 0.431 1.00 72.51 H new ATOM 0 HD23 LEU A 51 2.234 2.509 1.776 1.00 72.51 H new ATOM 831 N GLU A 52 5.616 5.701 2.992 1.00 54.24 N ATOM 832 CA GLU A 52 5.502 7.151 3.135 1.00 31.01 C ATOM 833 C GLU A 52 6.385 7.859 2.096 1.00 12.03 C ATOM 834 O GLU A 52 7.616 7.798 2.157 1.00 71.43 O ATOM 835 CB GLU A 52 5.872 7.609 4.565 1.00 21.22 C ATOM 836 CG GLU A 52 7.256 7.178 5.061 1.00 24.25 C ATOM 837 CD GLU A 52 7.332 5.707 5.451 1.00 1.10 C ATOM 838 OE1 GLU A 52 6.985 5.370 6.605 1.00 72.14 O ATOM 839 OE2 GLU A 52 7.755 4.885 4.613 1.00 33.54 O ATOM 0 H GLU A 52 6.575 5.355 3.018 1.00 54.24 H new ATOM 0 HA GLU A 52 4.462 7.425 2.959 1.00 31.01 H new ATOM 0 HB2 GLU A 52 5.814 8.697 4.605 1.00 21.22 H new ATOM 0 HB3 GLU A 52 5.122 7.224 5.256 1.00 21.22 H new ATOM 0 HG2 GLU A 52 7.991 7.377 4.281 1.00 24.25 H new ATOM 0 HG3 GLU A 52 7.531 7.788 5.921 1.00 24.25 H new ATOM 846 N PHE A 53 5.755 8.504 1.120 1.00 2.32 N ATOM 847 CA PHE A 53 6.494 9.232 0.084 1.00 40.12 C ATOM 848 C PHE A 53 6.330 10.745 0.255 1.00 40.41 C ATOM 849 O PHE A 53 5.232 11.242 0.514 1.00 51.24 O ATOM 850 CB PHE A 53 6.054 8.784 -1.323 1.00 23.20 C ATOM 851 CG PHE A 53 4.583 8.969 -1.620 1.00 32.01 C ATOM 852 CD1 PHE A 53 3.653 8.024 -1.210 1.00 31.14 C ATOM 853 CD2 PHE A 53 4.135 10.080 -2.322 1.00 35.22 C ATOM 854 CE1 PHE A 53 2.309 8.183 -1.489 1.00 11.34 C ATOM 855 CE2 PHE A 53 2.793 10.243 -2.607 1.00 71.15 C ATOM 856 CZ PHE A 53 1.878 9.294 -2.189 1.00 1.05 C ATOM 0 H PHE A 53 4.740 8.540 1.021 1.00 2.32 H new ATOM 0 HA PHE A 53 7.552 8.995 0.196 1.00 40.12 H new ATOM 0 HB2 PHE A 53 6.631 9.339 -2.062 1.00 23.20 H new ATOM 0 HB3 PHE A 53 6.305 7.731 -1.448 1.00 23.20 H new ATOM 0 HD1 PHE A 53 3.984 7.152 -0.665 1.00 31.14 H new ATOM 0 HD2 PHE A 53 4.844 10.826 -2.649 1.00 35.22 H new ATOM 0 HE1 PHE A 53 1.597 7.441 -1.161 1.00 11.34 H new ATOM 0 HE2 PHE A 53 2.459 11.111 -3.156 1.00 71.15 H new ATOM 0 HZ PHE A 53 0.828 9.421 -2.409 1.00 1.05 H new ATOM 866 N THR A 54 7.439 11.468 0.138 1.00 55.11 N ATOM 867 CA THR A 54 7.436 12.929 0.255 1.00 51.15 C ATOM 868 C THR A 54 7.443 13.591 -1.126 1.00 53.30 C ATOM 869 O THR A 54 8.243 13.234 -1.998 1.00 14.10 O ATOM 870 CB THR A 54 8.651 13.442 1.074 1.00 71.10 C ATOM 871 OG1 THR A 54 9.874 12.904 0.547 1.00 74.44 O ATOM 872 CG2 THR A 54 8.521 13.060 2.547 1.00 24.33 C ATOM 0 H THR A 54 8.360 11.066 -0.039 1.00 55.11 H new ATOM 0 HA THR A 54 6.521 13.200 0.781 1.00 51.15 H new ATOM 0 HB THR A 54 8.669 14.529 0.994 1.00 71.10 H new ATOM 0 HG1 THR A 54 10.631 13.237 1.072 1.00 74.44 H new ATOM 0 HG21 THR A 54 9.385 13.432 3.097 1.00 24.33 H new ATOM 0 HG22 THR A 54 7.613 13.500 2.958 1.00 24.33 H new ATOM 0 HG23 THR A 54 8.472 11.975 2.639 1.00 24.33 H new ATOM 880 N ALA A 55 6.544 14.551 -1.323 1.00 15.34 N ATOM 881 CA ALA A 55 6.423 15.256 -2.602 1.00 53.45 C ATOM 882 C ALA A 55 6.751 16.749 -2.455 1.00 60.44 C ATOM 883 O ALA A 55 6.410 17.371 -1.450 1.00 61.23 O ATOM 884 CB ALA A 55 5.016 15.075 -3.170 1.00 72.51 C ATOM 0 H ALA A 55 5.884 14.862 -0.611 1.00 15.34 H new ATOM 0 HA ALA A 55 7.147 14.824 -3.293 1.00 53.45 H new ATOM 0 HB1 ALA A 55 4.937 15.603 -4.120 1.00 72.51 H new ATOM 0 HB2 ALA A 55 4.821 14.014 -3.327 1.00 72.51 H new ATOM 0 HB3 ALA A 55 4.286 15.479 -2.469 1.00 72.51 H new ATOM 890 N GLN A 56 7.426 17.308 -3.460 1.00 1.32 N ATOM 891 CA GLN A 56 7.752 18.739 -3.484 1.00 51.22 C ATOM 892 C GLN A 56 6.469 19.589 -3.523 1.00 5.32 C ATOM 893 O GLN A 56 6.394 20.655 -2.911 1.00 10.14 O ATOM 894 CB GLN A 56 8.666 19.033 -4.693 1.00 73.23 C ATOM 895 CG GLN A 56 9.244 20.451 -4.751 1.00 51.04 C ATOM 896 CD GLN A 56 8.353 21.442 -5.488 1.00 52.13 C ATOM 897 OE1 GLN A 56 7.513 22.108 -4.895 1.00 5.20 O ATOM 898 NE2 GLN A 56 8.519 21.541 -6.791 1.00 33.22 N ATOM 0 H GLN A 56 7.760 16.791 -4.273 1.00 1.32 H new ATOM 0 HA GLN A 56 8.286 19.007 -2.572 1.00 51.22 H new ATOM 0 HB2 GLN A 56 9.492 18.322 -4.683 1.00 73.23 H new ATOM 0 HB3 GLN A 56 8.100 18.852 -5.607 1.00 73.23 H new ATOM 0 HG2 GLN A 56 9.409 20.809 -3.735 1.00 51.04 H new ATOM 0 HG3 GLN A 56 10.218 20.418 -5.239 1.00 51.04 H new ATOM 0 HE21 GLN A 56 9.226 20.974 -7.260 1.00 33.22 H new ATOM 0 HE22 GLN A 56 7.941 22.184 -7.331 1.00 33.22 H new ATOM 907 N LYS A 57 5.453 19.095 -4.228 1.00 22.50 N ATOM 908 CA LYS A 57 4.153 19.769 -4.297 1.00 2.34 C ATOM 909 C LYS A 57 3.074 18.981 -3.543 1.00 11.14 C ATOM 910 O LYS A 57 3.225 17.785 -3.296 1.00 50.01 O ATOM 911 CB LYS A 57 3.707 19.929 -5.754 1.00 44.14 C ATOM 912 CG LYS A 57 4.593 20.834 -6.603 1.00 3.22 C ATOM 913 CD LYS A 57 3.993 21.038 -7.993 1.00 32.44 C ATOM 914 CE LYS A 57 2.593 21.646 -7.915 1.00 4.15 C ATOM 915 NZ LYS A 57 1.919 21.679 -9.239 1.00 34.33 N ATOM 0 H LYS A 57 5.503 18.227 -4.762 1.00 22.50 H new ATOM 0 HA LYS A 57 4.274 20.748 -3.833 1.00 2.34 H new ATOM 0 HB2 LYS A 57 3.670 18.943 -6.217 1.00 44.14 H new ATOM 0 HB3 LYS A 57 2.691 20.325 -5.766 1.00 44.14 H new ATOM 0 HG2 LYS A 57 4.713 21.798 -6.109 1.00 3.22 H new ATOM 0 HG3 LYS A 57 5.587 20.396 -6.693 1.00 3.22 H new ATOM 0 HD2 LYS A 57 4.642 21.690 -8.578 1.00 32.44 H new ATOM 0 HD3 LYS A 57 3.947 20.082 -8.515 1.00 32.44 H new ATOM 0 HE2 LYS A 57 1.987 21.070 -7.216 1.00 4.15 H new ATOM 0 HE3 LYS A 57 2.661 22.659 -7.519 1.00 4.15 H new ATOM 0 HZ1 LYS A 57 0.973 22.099 -9.137 1.00 34.33 H new ATOM 0 HZ2 LYS A 57 2.482 22.250 -9.901 1.00 34.33 H new ATOM 0 HZ3 LYS A 57 1.829 20.710 -9.607 1.00 34.33 H new ATOM 929 N ASN A 58 1.979 19.654 -3.197 1.00 20.31 N ATOM 930 CA ASN A 58 0.819 18.981 -2.611 1.00 32.40 C ATOM 931 C ASN A 58 -0.079 18.428 -3.735 1.00 25.35 C ATOM 932 O ASN A 58 -0.519 19.173 -4.615 1.00 4.44 O ATOM 933 CB ASN A 58 0.031 19.947 -1.718 1.00 22.33 C ATOM 934 CG ASN A 58 -0.872 19.221 -0.737 1.00 61.34 C ATOM 935 OD1 ASN A 58 -0.489 18.960 0.399 1.00 64.42 O ATOM 936 ND2 ASN A 58 -2.060 18.857 -1.170 1.00 3.23 N ATOM 0 H ASN A 58 1.869 20.662 -3.311 1.00 20.31 H new ATOM 0 HA ASN A 58 1.163 18.153 -1.991 1.00 32.40 H new ATOM 0 HB2 ASN A 58 0.728 20.579 -1.167 1.00 22.33 H new ATOM 0 HB3 ASN A 58 -0.571 20.606 -2.343 1.00 22.33 H new ATOM 0 HD21 ASN A 58 -2.691 18.343 -0.556 1.00 3.23 H new ATOM 0 HD22 ASN A 58 -2.350 19.089 -2.120 1.00 3.23 H new ATOM 943 N LEU A 59 -0.336 17.124 -3.709 1.00 44.12 N ATOM 944 CA LEU A 59 -1.033 16.448 -4.814 1.00 70.33 C ATOM 945 C LEU A 59 -2.555 16.341 -4.590 1.00 44.12 C ATOM 946 O LEU A 59 -3.104 16.890 -3.632 1.00 71.03 O ATOM 947 CB LEU A 59 -0.395 15.066 -5.056 1.00 11.14 C ATOM 948 CG LEU A 59 -0.188 14.190 -3.805 1.00 63.21 C ATOM 949 CD1 LEU A 59 -1.490 13.525 -3.371 1.00 60.44 C ATOM 950 CD2 LEU A 59 0.903 13.150 -4.048 1.00 23.43 C ATOM 0 H LEU A 59 -0.075 16.509 -2.938 1.00 44.12 H new ATOM 0 HA LEU A 59 -0.913 17.060 -5.708 1.00 70.33 H new ATOM 0 HB2 LEU A 59 -1.020 14.517 -5.760 1.00 11.14 H new ATOM 0 HB3 LEU A 59 0.572 15.213 -5.536 1.00 11.14 H new ATOM 0 HG LEU A 59 0.136 14.840 -2.992 1.00 63.21 H new ATOM 0 HD11 LEU A 59 -1.309 12.914 -2.486 1.00 60.44 H new ATOM 0 HD12 LEU A 59 -2.230 14.291 -3.138 1.00 60.44 H new ATOM 0 HD13 LEU A 59 -1.863 12.894 -4.178 1.00 60.44 H new ATOM 0 HD21 LEU A 59 1.033 12.543 -3.152 1.00 23.43 H new ATOM 0 HD22 LEU A 59 0.616 12.510 -4.882 1.00 23.43 H new ATOM 0 HD23 LEU A 59 1.840 13.654 -4.283 1.00 23.43 H new ATOM 962 N ARG A 60 -3.233 15.639 -5.500 1.00 0.12 N ATOM 963 CA ARG A 60 -4.696 15.548 -5.487 1.00 13.34 C ATOM 964 C ARG A 60 -5.218 14.610 -4.385 1.00 23.24 C ATOM 965 O ARG A 60 -5.050 13.389 -4.448 1.00 42.31 O ATOM 966 CB ARG A 60 -5.197 15.084 -6.859 1.00 5.02 C ATOM 967 CG ARG A 60 -6.719 15.010 -6.976 1.00 64.30 C ATOM 968 CD ARG A 60 -7.156 14.792 -8.420 1.00 11.21 C ATOM 969 NE ARG A 60 -6.657 15.853 -9.291 1.00 72.35 N ATOM 970 CZ ARG A 60 -7.278 16.306 -10.342 1.00 11.43 C ATOM 971 NH1 ARG A 60 -8.394 15.769 -10.736 1.00 23.14 N ATOM 972 NH2 ARG A 60 -6.763 17.288 -11.006 1.00 73.11 N ATOM 0 H ARG A 60 -2.790 15.122 -6.260 1.00 0.12 H new ATOM 0 HA ARG A 60 -5.084 16.543 -5.267 1.00 13.34 H new ATOM 0 HB2 ARG A 60 -4.818 15.764 -7.621 1.00 5.02 H new ATOM 0 HB3 ARG A 60 -4.779 14.100 -7.073 1.00 5.02 H new ATOM 0 HG2 ARG A 60 -7.094 14.197 -6.354 1.00 64.30 H new ATOM 0 HG3 ARG A 60 -7.160 15.932 -6.596 1.00 64.30 H new ATOM 0 HD2 ARG A 60 -6.790 13.827 -8.771 1.00 11.21 H new ATOM 0 HD3 ARG A 60 -8.244 14.758 -8.472 1.00 11.21 H new ATOM 0 HE ARG A 60 -5.755 16.270 -9.059 1.00 72.35 H new ATOM 0 HH11 ARG A 60 -8.792 14.984 -10.220 1.00 23.14 H new ATOM 0 HH12 ARG A 60 -8.872 16.132 -11.561 1.00 23.14 H new ATOM 0 HH21 ARG A 60 -5.879 17.699 -10.705 1.00 73.11 H new ATOM 0 HH22 ARG A 60 -7.240 17.652 -11.831 1.00 73.11 H new ATOM 986 N LYS A 61 -5.873 15.199 -3.391 1.00 10.42 N ATOM 987 CA LYS A 61 -6.454 14.446 -2.277 1.00 14.51 C ATOM 988 C LYS A 61 -7.789 13.788 -2.675 1.00 22.21 C ATOM 989 O LYS A 61 -8.444 14.220 -3.628 1.00 41.44 O ATOM 990 CB LYS A 61 -6.648 15.377 -1.075 1.00 2.23 C ATOM 991 CG LYS A 61 -7.549 16.577 -1.361 1.00 52.45 C ATOM 992 CD LYS A 61 -7.472 17.620 -0.250 1.00 72.34 C ATOM 993 CE LYS A 61 -7.900 17.051 1.096 1.00 64.35 C ATOM 994 NZ LYS A 61 -7.717 18.036 2.191 1.00 23.30 N ATOM 0 H LYS A 61 -6.018 16.207 -3.331 1.00 10.42 H new ATOM 0 HA LYS A 61 -5.766 13.645 -2.006 1.00 14.51 H new ATOM 0 HB2 LYS A 61 -7.072 14.805 -0.250 1.00 2.23 H new ATOM 0 HB3 LYS A 61 -5.673 15.737 -0.746 1.00 2.23 H new ATOM 0 HG2 LYS A 61 -7.259 17.032 -2.308 1.00 52.45 H new ATOM 0 HG3 LYS A 61 -8.579 16.240 -1.472 1.00 52.45 H new ATOM 0 HD2 LYS A 61 -6.452 17.997 -0.177 1.00 72.34 H new ATOM 0 HD3 LYS A 61 -8.108 18.468 -0.504 1.00 72.34 H new ATOM 0 HE2 LYS A 61 -8.947 16.750 1.048 1.00 64.35 H new ATOM 0 HE3 LYS A 61 -7.320 16.154 1.313 1.00 64.35 H new ATOM 0 HZ1 LYS A 61 -8.081 17.638 3.080 1.00 23.30 H new ATOM 0 HZ2 LYS A 61 -6.705 18.253 2.298 1.00 23.30 H new ATOM 0 HZ3 LYS A 61 -8.236 18.908 1.964 1.00 23.30 H new ATOM 1008 N GLU A 62 -8.170 12.730 -1.945 1.00 72.03 N ATOM 1009 CA GLU A 62 -9.395 11.952 -2.231 1.00 44.21 C ATOM 1010 C GLU A 62 -9.282 11.154 -3.554 1.00 34.22 C ATOM 1011 O GLU A 62 -10.218 10.465 -3.964 1.00 64.03 O ATOM 1012 CB GLU A 62 -10.638 12.870 -2.245 1.00 14.21 C ATOM 1013 CG GLU A 62 -11.964 12.123 -2.397 1.00 54.34 C ATOM 1014 CD GLU A 62 -13.168 13.050 -2.409 1.00 1.53 C ATOM 1015 OE1 GLU A 62 -13.312 13.833 -3.370 1.00 4.43 O ATOM 1016 OE2 GLU A 62 -13.974 13.002 -1.456 1.00 72.34 O ATOM 0 H GLU A 62 -7.644 12.386 -1.142 1.00 72.03 H new ATOM 0 HA GLU A 62 -9.511 11.226 -1.427 1.00 44.21 H new ATOM 0 HB2 GLU A 62 -10.662 13.446 -1.320 1.00 14.21 H new ATOM 0 HB3 GLU A 62 -10.540 13.584 -3.063 1.00 14.21 H new ATOM 0 HG2 GLU A 62 -11.946 11.547 -3.322 1.00 54.34 H new ATOM 0 HG3 GLU A 62 -12.069 11.410 -1.579 1.00 54.34 H new ATOM 1023 N ALA A 63 -8.124 11.228 -4.206 1.00 21.42 N ATOM 1024 CA ALA A 63 -7.895 10.502 -5.459 1.00 73.22 C ATOM 1025 C ALA A 63 -7.258 9.123 -5.216 1.00 4.12 C ATOM 1026 O ALA A 63 -6.732 8.845 -4.131 1.00 13.43 O ATOM 1027 CB ALA A 63 -7.012 11.328 -6.388 1.00 54.13 C ATOM 0 H ALA A 63 -7.328 11.782 -3.890 1.00 21.42 H new ATOM 0 HA ALA A 63 -8.866 10.339 -5.927 1.00 73.22 H new ATOM 0 HB1 ALA A 63 -6.848 10.780 -7.316 1.00 54.13 H new ATOM 0 HB2 ALA A 63 -7.502 12.276 -6.608 1.00 54.13 H new ATOM 0 HB3 ALA A 63 -6.054 11.519 -5.905 1.00 54.13 H new ATOM 1033 N PHE A 64 -7.324 8.265 -6.233 1.00 0.34 N ATOM 1034 CA PHE A 64 -6.675 6.950 -6.197 1.00 10.25 C ATOM 1035 C PHE A 64 -5.309 7.024 -6.890 1.00 61.40 C ATOM 1036 O PHE A 64 -5.220 7.177 -8.106 1.00 54.54 O ATOM 1037 CB PHE A 64 -7.562 5.897 -6.877 1.00 14.02 C ATOM 1038 CG PHE A 64 -8.898 5.698 -6.198 1.00 50.15 C ATOM 1039 CD1 PHE A 64 -9.975 6.522 -6.496 1.00 20.00 C ATOM 1040 CD2 PHE A 64 -9.074 4.686 -5.263 1.00 14.33 C ATOM 1041 CE1 PHE A 64 -11.197 6.339 -5.875 1.00 2.15 C ATOM 1042 CE2 PHE A 64 -10.293 4.502 -4.639 1.00 53.13 C ATOM 1043 CZ PHE A 64 -11.357 5.330 -4.947 1.00 35.51 C ATOM 0 H PHE A 64 -7.825 8.457 -7.101 1.00 0.34 H new ATOM 0 HA PHE A 64 -6.529 6.657 -5.157 1.00 10.25 H new ATOM 0 HB2 PHE A 64 -7.731 6.191 -7.913 1.00 14.02 H new ATOM 0 HB3 PHE A 64 -7.030 4.946 -6.899 1.00 14.02 H new ATOM 0 HD1 PHE A 64 -9.857 7.314 -7.220 1.00 20.00 H new ATOM 0 HD2 PHE A 64 -8.247 4.035 -5.021 1.00 14.33 H new ATOM 0 HE1 PHE A 64 -12.027 6.986 -6.116 1.00 2.15 H new ATOM 0 HE2 PHE A 64 -10.415 3.713 -3.912 1.00 53.13 H new ATOM 0 HZ PHE A 64 -12.311 5.187 -4.462 1.00 35.51 H new ATOM 1053 N LEU A 65 -4.244 6.925 -6.116 1.00 33.35 N ATOM 1054 CA LEU A 65 -2.899 7.161 -6.633 1.00 62.54 C ATOM 1055 C LEU A 65 -2.159 5.831 -6.882 1.00 62.30 C ATOM 1056 O LEU A 65 -2.011 5.009 -5.978 1.00 40.23 O ATOM 1057 CB LEU A 65 -2.136 8.046 -5.634 1.00 64.05 C ATOM 1058 CG LEU A 65 -1.034 8.942 -6.218 1.00 63.11 C ATOM 1059 CD1 LEU A 65 -0.519 9.904 -5.154 1.00 4.34 C ATOM 1060 CD2 LEU A 65 0.113 8.111 -6.778 1.00 73.14 C ATOM 0 H LEU A 65 -4.279 6.683 -5.126 1.00 33.35 H new ATOM 0 HA LEU A 65 -2.962 7.672 -7.594 1.00 62.54 H new ATOM 0 HB2 LEU A 65 -2.857 8.682 -5.121 1.00 64.05 H new ATOM 0 HB3 LEU A 65 -1.687 7.400 -4.879 1.00 64.05 H new ATOM 0 HG LEU A 65 -1.465 9.516 -7.038 1.00 63.11 H new ATOM 0 HD11 LEU A 65 0.262 10.534 -5.580 1.00 4.34 H new ATOM 0 HD12 LEU A 65 -1.339 10.530 -4.802 1.00 4.34 H new ATOM 0 HD13 LEU A 65 -0.111 9.337 -4.317 1.00 4.34 H new ATOM 0 HD21 LEU A 65 0.878 8.773 -7.184 1.00 73.14 H new ATOM 0 HD22 LEU A 65 0.545 7.504 -5.982 1.00 73.14 H new ATOM 0 HD23 LEU A 65 -0.261 7.461 -7.569 1.00 73.14 H new ATOM 1072 N ARG A 66 -1.705 5.628 -8.118 1.00 53.13 N ATOM 1073 CA ARG A 66 -0.945 4.428 -8.487 1.00 72.25 C ATOM 1074 C ARG A 66 0.558 4.639 -8.236 1.00 42.12 C ATOM 1075 O ARG A 66 1.227 5.359 -8.982 1.00 13.40 O ATOM 1076 CB ARG A 66 -1.190 4.082 -9.964 1.00 51.44 C ATOM 1077 CG ARG A 66 -2.663 3.861 -10.304 1.00 34.22 C ATOM 1078 CD ARG A 66 -2.878 3.608 -11.795 1.00 12.01 C ATOM 1079 NE ARG A 66 -2.268 2.357 -12.245 1.00 70.11 N ATOM 1080 CZ ARG A 66 -2.333 1.912 -13.470 1.00 14.14 C ATOM 1081 NH1 ARG A 66 -2.944 2.591 -14.390 1.00 44.04 N ATOM 1082 NH2 ARG A 66 -1.783 0.783 -13.772 1.00 10.31 N ATOM 0 H ARG A 66 -1.850 6.282 -8.887 1.00 53.13 H new ATOM 0 HA ARG A 66 -1.285 3.599 -7.866 1.00 72.25 H new ATOM 0 HB2 ARG A 66 -0.799 4.886 -10.587 1.00 51.44 H new ATOM 0 HB3 ARG A 66 -0.629 3.182 -10.216 1.00 51.44 H new ATOM 0 HG2 ARG A 66 -3.042 3.013 -9.735 1.00 34.22 H new ATOM 0 HG3 ARG A 66 -3.240 4.734 -9.998 1.00 34.22 H new ATOM 0 HD2 ARG A 66 -3.947 3.583 -12.005 1.00 12.01 H new ATOM 0 HD3 ARG A 66 -2.460 4.438 -12.365 1.00 12.01 H new ATOM 0 HE ARG A 66 -1.761 1.798 -11.559 1.00 70.11 H new ATOM 0 HH11 ARG A 66 -3.381 3.484 -14.160 1.00 44.04 H new ATOM 0 HH12 ARG A 66 -2.988 2.233 -15.344 1.00 44.04 H new ATOM 0 HH21 ARG A 66 -1.300 0.243 -13.054 1.00 10.31 H new ATOM 0 HH22 ARG A 66 -1.832 0.432 -14.728 1.00 10.31 H new ATOM 1096 N VAL A 67 1.077 4.023 -7.177 1.00 31.00 N ATOM 1097 CA VAL A 67 2.482 4.196 -6.788 1.00 43.51 C ATOM 1098 C VAL A 67 3.370 3.050 -7.301 1.00 4.41 C ATOM 1099 O VAL A 67 3.141 1.885 -6.981 1.00 45.54 O ATOM 1100 CB VAL A 67 2.624 4.293 -5.246 1.00 13.11 C ATOM 1101 CG1 VAL A 67 4.080 4.526 -4.845 1.00 32.31 C ATOM 1102 CG2 VAL A 67 1.719 5.392 -4.687 1.00 24.21 C ATOM 0 H VAL A 67 0.548 3.398 -6.569 1.00 31.00 H new ATOM 0 HA VAL A 67 2.817 5.126 -7.247 1.00 43.51 H new ATOM 0 HB VAL A 67 2.307 3.343 -4.816 1.00 13.11 H new ATOM 0 HG11 VAL A 67 4.153 4.590 -3.759 1.00 32.31 H new ATOM 0 HG12 VAL A 67 4.693 3.698 -5.201 1.00 32.31 H new ATOM 0 HG13 VAL A 67 4.435 5.456 -5.288 1.00 32.31 H new ATOM 0 HG21 VAL A 67 1.834 5.443 -3.604 1.00 24.21 H new ATOM 0 HG22 VAL A 67 1.996 6.350 -5.127 1.00 24.21 H new ATOM 0 HG23 VAL A 67 0.681 5.167 -4.931 1.00 24.21 H new ATOM 1112 N TYR A 68 4.392 3.389 -8.087 1.00 31.10 N ATOM 1113 CA TYR A 68 5.358 2.394 -8.577 1.00 45.20 C ATOM 1114 C TYR A 68 6.295 1.926 -7.447 1.00 50.42 C ATOM 1115 O TYR A 68 6.608 2.688 -6.529 1.00 51.20 O ATOM 1116 CB TYR A 68 6.167 2.970 -9.764 1.00 13.41 C ATOM 1117 CG TYR A 68 7.669 2.719 -9.697 1.00 21.41 C ATOM 1118 CD1 TYR A 68 8.242 1.579 -10.252 1.00 32.42 C ATOM 1119 CD2 TYR A 68 8.512 3.634 -9.074 1.00 33.53 C ATOM 1120 CE1 TYR A 68 9.606 1.367 -10.189 1.00 33.23 C ATOM 1121 CE2 TYR A 68 9.873 3.422 -9.007 1.00 54.21 C ATOM 1122 CZ TYR A 68 10.414 2.289 -9.564 1.00 71.20 C ATOM 1123 OH TYR A 68 11.774 2.085 -9.505 1.00 60.40 O ATOM 0 H TYR A 68 4.576 4.342 -8.400 1.00 31.10 H new ATOM 0 HA TYR A 68 4.804 1.523 -8.927 1.00 45.20 H new ATOM 0 HB2 TYR A 68 5.782 2.541 -10.689 1.00 13.41 H new ATOM 0 HB3 TYR A 68 5.995 4.045 -9.815 1.00 13.41 H new ATOM 0 HD1 TYR A 68 7.612 0.850 -10.739 1.00 32.42 H new ATOM 0 HD2 TYR A 68 8.093 4.527 -8.635 1.00 33.53 H new ATOM 0 HE1 TYR A 68 10.037 0.480 -10.629 1.00 33.23 H new ATOM 0 HE2 TYR A 68 10.511 4.144 -8.519 1.00 54.21 H new ATOM 0 HH TYR A 68 12.196 2.831 -9.030 1.00 60.40 H new ATOM 1133 N HIS A 69 6.752 0.678 -7.528 1.00 13.20 N ATOM 1134 CA HIS A 69 7.625 0.112 -6.501 1.00 11.31 C ATOM 1135 C HIS A 69 8.712 -0.802 -7.100 1.00 55.35 C ATOM 1136 O HIS A 69 8.446 -1.615 -7.986 1.00 34.03 O ATOM 1137 CB HIS A 69 6.779 -0.659 -5.483 1.00 25.21 C ATOM 1138 CG HIS A 69 7.568 -1.303 -4.379 1.00 21.11 C ATOM 1139 ND1 HIS A 69 8.019 -2.608 -4.430 1.00 35.43 N ATOM 1140 CD2 HIS A 69 7.973 -0.819 -3.179 1.00 42.24 C ATOM 1141 CE1 HIS A 69 8.659 -2.893 -3.311 1.00 34.24 C ATOM 1142 NE2 HIS A 69 8.645 -1.827 -2.541 1.00 22.23 N ATOM 0 H HIS A 69 6.533 0.040 -8.293 1.00 13.20 H new ATOM 0 HA HIS A 69 8.141 0.935 -6.006 1.00 11.31 H new ATOM 0 HB2 HIS A 69 6.052 0.023 -5.043 1.00 25.21 H new ATOM 0 HB3 HIS A 69 6.215 -1.430 -6.008 1.00 25.21 H new ATOM 0 HD1 HIS A 69 7.879 -3.250 -5.210 1.00 35.43 H new ATOM 0 HD2 HIS A 69 7.798 0.176 -2.797 1.00 42.24 H new ATOM 0 HE1 HIS A 69 9.116 -3.841 -3.069 1.00 34.24 H new ATOM 1151 N SER A 70 9.941 -0.644 -6.611 1.00 1.42 N ATOM 1152 CA SER A 70 11.062 -1.532 -6.968 1.00 64.53 C ATOM 1153 C SER A 70 11.987 -1.724 -5.760 1.00 3.30 C ATOM 1154 O SER A 70 12.157 -0.808 -4.957 1.00 51.30 O ATOM 1155 CB SER A 70 11.864 -0.982 -8.158 1.00 3.42 C ATOM 1156 OG SER A 70 11.094 -0.990 -9.351 1.00 30.04 O ATOM 0 H SER A 70 10.194 0.098 -5.958 1.00 1.42 H new ATOM 0 HA SER A 70 10.642 -2.494 -7.262 1.00 64.53 H new ATOM 0 HB2 SER A 70 12.189 0.035 -7.940 1.00 3.42 H new ATOM 0 HB3 SER A 70 12.764 -1.581 -8.300 1.00 3.42 H new ATOM 0 HG SER A 70 10.398 -0.302 -9.296 1.00 30.04 H new ATOM 1162 N ASP A 71 12.594 -2.902 -5.640 1.00 14.14 N ATOM 1163 CA ASP A 71 13.369 -3.262 -4.441 1.00 44.50 C ATOM 1164 C ASP A 71 14.532 -2.288 -4.138 1.00 2.34 C ATOM 1165 O ASP A 71 14.789 -1.971 -2.976 1.00 41.12 O ATOM 1166 CB ASP A 71 13.896 -4.697 -4.577 1.00 63.41 C ATOM 1167 CG ASP A 71 14.783 -4.885 -5.794 1.00 52.31 C ATOM 1168 OD1 ASP A 71 14.242 -4.982 -6.918 1.00 60.24 O ATOM 1169 OD2 ASP A 71 16.021 -4.923 -5.638 1.00 74.32 O ATOM 0 H ASP A 71 12.568 -3.629 -6.355 1.00 14.14 H new ATOM 0 HA ASP A 71 12.687 -3.189 -3.594 1.00 44.50 H new ATOM 0 HB2 ASP A 71 14.457 -4.960 -3.680 1.00 63.41 H new ATOM 0 HB3 ASP A 71 13.053 -5.385 -4.638 1.00 63.41 H new ATOM 1174 N LYS A 72 15.215 -1.799 -5.175 1.00 44.54 N ATOM 1175 CA LYS A 72 16.450 -1.015 -4.986 1.00 61.35 C ATOM 1176 C LYS A 72 16.220 0.427 -4.484 1.00 31.31 C ATOM 1177 O LYS A 72 17.173 1.090 -4.069 1.00 61.04 O ATOM 1178 CB LYS A 72 17.275 -0.995 -6.283 1.00 23.23 C ATOM 1179 CG LYS A 72 17.806 -2.370 -6.679 1.00 73.44 C ATOM 1180 CD LYS A 72 18.752 -2.314 -7.877 1.00 23.24 C ATOM 1181 CE LYS A 72 18.049 -1.864 -9.155 1.00 42.43 C ATOM 1182 NZ LYS A 72 18.948 -1.959 -10.337 1.00 21.34 N ATOM 0 H LYS A 72 14.942 -1.927 -6.149 1.00 44.54 H new ATOM 0 HA LYS A 72 17.000 -1.523 -4.194 1.00 61.35 H new ATOM 0 HB2 LYS A 72 16.658 -0.604 -7.092 1.00 23.23 H new ATOM 0 HB3 LYS A 72 18.114 -0.310 -6.162 1.00 23.23 H new ATOM 0 HG2 LYS A 72 18.327 -2.812 -5.830 1.00 73.44 H new ATOM 0 HG3 LYS A 72 16.967 -3.025 -6.914 1.00 73.44 H new ATOM 0 HD2 LYS A 72 19.572 -1.630 -7.657 1.00 23.24 H new ATOM 0 HD3 LYS A 72 19.192 -3.299 -8.035 1.00 23.24 H new ATOM 0 HE2 LYS A 72 17.164 -2.479 -9.320 1.00 42.43 H new ATOM 0 HE3 LYS A 72 17.706 -0.836 -9.040 1.00 42.43 H new ATOM 0 HZ1 LYS A 72 18.438 -1.646 -11.187 1.00 21.34 H new ATOM 0 HZ2 LYS A 72 19.780 -1.353 -10.190 1.00 21.34 H new ATOM 0 HZ3 LYS A 72 19.255 -2.945 -10.461 1.00 21.34 H new ATOM 1196 N LYS A 73 14.984 0.930 -4.516 1.00 1.34 N ATOM 1197 CA LYS A 73 14.715 2.294 -4.011 1.00 2.04 C ATOM 1198 C LYS A 73 13.281 2.461 -3.467 1.00 30.44 C ATOM 1199 O LYS A 73 12.888 3.549 -3.038 1.00 53.31 O ATOM 1200 CB LYS A 73 14.997 3.337 -5.110 1.00 54.42 C ATOM 1201 CG LYS A 73 15.048 4.777 -4.596 1.00 12.35 C ATOM 1202 CD LYS A 73 15.424 5.768 -5.695 1.00 73.15 C ATOM 1203 CE LYS A 73 15.535 7.194 -5.157 1.00 2.33 C ATOM 1204 NZ LYS A 73 16.572 7.314 -4.096 1.00 45.22 N ATOM 0 H LYS A 73 14.167 0.435 -4.875 1.00 1.34 H new ATOM 0 HA LYS A 73 15.390 2.458 -3.171 1.00 2.04 H new ATOM 0 HB2 LYS A 73 15.946 3.098 -5.589 1.00 54.42 H new ATOM 0 HB3 LYS A 73 14.225 3.262 -5.876 1.00 54.42 H new ATOM 0 HG2 LYS A 73 14.077 5.048 -4.182 1.00 12.35 H new ATOM 0 HG3 LYS A 73 15.772 4.846 -3.784 1.00 12.35 H new ATOM 0 HD2 LYS A 73 16.373 5.473 -6.142 1.00 73.15 H new ATOM 0 HD3 LYS A 73 14.675 5.735 -6.486 1.00 73.15 H new ATOM 0 HE2 LYS A 73 15.775 7.872 -5.976 1.00 2.33 H new ATOM 0 HE3 LYS A 73 14.570 7.506 -4.757 1.00 2.33 H new ATOM 0 HZ1 LYS A 73 16.794 8.318 -3.940 1.00 45.22 H new ATOM 0 HZ2 LYS A 73 16.215 6.897 -3.213 1.00 45.22 H new ATOM 0 HZ3 LYS A 73 17.433 6.811 -4.393 1.00 45.22 H new ATOM 1218 N GLY A 74 12.506 1.384 -3.462 1.00 42.51 N ATOM 1219 CA GLY A 74 11.135 1.448 -2.968 1.00 44.34 C ATOM 1220 C GLY A 74 10.190 2.204 -3.899 1.00 50.23 C ATOM 1221 O GLY A 74 9.489 1.595 -4.703 1.00 52.31 O ATOM 0 H GLY A 74 12.799 0.464 -3.791 1.00 42.51 H new ATOM 0 HA2 GLY A 74 10.760 0.434 -2.826 1.00 44.34 H new ATOM 0 HA3 GLY A 74 11.131 1.929 -1.990 1.00 44.34 H new ATOM 1225 N VAL A 75 10.190 3.535 -3.806 1.00 3.43 N ATOM 1226 CA VAL A 75 9.264 4.381 -4.580 1.00 43.53 C ATOM 1227 C VAL A 75 10.007 5.505 -5.329 1.00 14.04 C ATOM 1228 O VAL A 75 11.023 6.020 -4.854 1.00 25.14 O ATOM 1229 CB VAL A 75 8.186 5.020 -3.658 1.00 23.35 C ATOM 1230 CG1 VAL A 75 7.257 5.946 -4.446 1.00 4.35 C ATOM 1231 CG2 VAL A 75 7.384 3.939 -2.932 1.00 12.22 C ATOM 0 H VAL A 75 10.823 4.058 -3.200 1.00 3.43 H new ATOM 0 HA VAL A 75 8.783 3.729 -5.309 1.00 43.53 H new ATOM 0 HB VAL A 75 8.703 5.624 -2.912 1.00 23.35 H new ATOM 0 HG11 VAL A 75 6.516 6.376 -3.773 1.00 4.35 H new ATOM 0 HG12 VAL A 75 7.841 6.746 -4.901 1.00 4.35 H new ATOM 0 HG13 VAL A 75 6.752 5.377 -5.226 1.00 4.35 H new ATOM 0 HG21 VAL A 75 6.636 4.408 -2.293 1.00 12.22 H new ATOM 0 HG22 VAL A 75 6.888 3.301 -3.663 1.00 12.22 H new ATOM 0 HG23 VAL A 75 8.056 3.336 -2.321 1.00 12.22 H new ATOM 1241 N SER A 76 9.495 5.877 -6.506 1.00 20.13 N ATOM 1242 CA SER A 76 10.053 6.999 -7.291 1.00 73.10 C ATOM 1243 C SER A 76 8.973 7.668 -8.155 1.00 34.01 C ATOM 1244 O SER A 76 8.690 8.858 -8.012 1.00 34.13 O ATOM 1245 CB SER A 76 11.210 6.531 -8.191 1.00 52.34 C ATOM 1246 OG SER A 76 12.268 5.962 -7.431 1.00 31.22 O ATOM 0 H SER A 76 8.694 5.421 -6.943 1.00 20.13 H new ATOM 0 HA SER A 76 10.434 7.727 -6.575 1.00 73.10 H new ATOM 0 HB2 SER A 76 10.840 5.797 -8.907 1.00 52.34 H new ATOM 0 HB3 SER A 76 11.588 7.376 -8.767 1.00 52.34 H new ATOM 0 HG SER A 76 12.985 5.674 -8.033 1.00 31.22 H new ATOM 1252 N ALA A 77 8.376 6.894 -9.058 1.00 5.30 N ATOM 1253 CA ALA A 77 7.333 7.401 -9.959 1.00 5.42 C ATOM 1254 C ALA A 77 5.926 6.997 -9.489 1.00 63.51 C ATOM 1255 O ALA A 77 5.730 5.916 -8.932 1.00 4.03 O ATOM 1256 CB ALA A 77 7.580 6.899 -11.377 1.00 64.05 C ATOM 0 H ALA A 77 8.596 5.907 -9.189 1.00 5.30 H new ATOM 0 HA ALA A 77 7.383 8.490 -9.946 1.00 5.42 H new ATOM 0 HB1 ALA A 77 6.802 7.280 -12.038 1.00 64.05 H new ATOM 0 HB2 ALA A 77 8.553 7.249 -11.722 1.00 64.05 H new ATOM 0 HB3 ALA A 77 7.562 5.809 -11.385 1.00 64.05 H new ATOM 1262 N TRP A 78 4.954 7.877 -9.713 1.00 43.22 N ATOM 1263 CA TRP A 78 3.562 7.621 -9.323 1.00 50.51 C ATOM 1264 C TRP A 78 2.584 8.532 -10.087 1.00 62.22 C ATOM 1265 O TRP A 78 2.941 9.641 -10.491 1.00 10.11 O ATOM 1266 CB TRP A 78 3.397 7.795 -7.801 1.00 21.11 C ATOM 1267 CG TRP A 78 4.042 9.038 -7.242 1.00 73.04 C ATOM 1268 CD1 TRP A 78 5.270 9.122 -6.641 1.00 0.21 C ATOM 1269 CD2 TRP A 78 3.496 10.368 -7.221 1.00 44.40 C ATOM 1270 NE1 TRP A 78 5.517 10.415 -6.253 1.00 55.22 N ATOM 1271 CE2 TRP A 78 4.449 11.199 -6.598 1.00 71.54 C ATOM 1272 CE3 TRP A 78 2.300 10.938 -7.667 1.00 60.52 C ATOM 1273 CZ2 TRP A 78 4.242 12.563 -6.413 1.00 1.24 C ATOM 1274 CZ3 TRP A 78 2.096 12.293 -7.483 1.00 41.12 C ATOM 1275 CH2 TRP A 78 3.063 13.092 -6.861 1.00 23.20 C ATOM 0 H TRP A 78 5.102 8.780 -10.165 1.00 43.22 H new ATOM 0 HA TRP A 78 3.321 6.591 -9.588 1.00 50.51 H new ATOM 0 HB2 TRP A 78 2.333 7.814 -7.563 1.00 21.11 H new ATOM 0 HB3 TRP A 78 3.820 6.924 -7.300 1.00 21.11 H new ATOM 0 HD1 TRP A 78 5.945 8.292 -6.494 1.00 0.21 H new ATOM 0 HE1 TRP A 78 6.362 10.740 -5.783 1.00 55.22 H new ATOM 0 HE3 TRP A 78 1.548 10.330 -8.147 1.00 60.52 H new ATOM 0 HZ2 TRP A 78 4.986 13.182 -5.933 1.00 1.24 H new ATOM 0 HZ3 TRP A 78 1.175 12.743 -7.825 1.00 41.12 H new ATOM 0 HH2 TRP A 78 2.874 14.148 -6.732 1.00 23.20 H new ATOM 1286 N GLU A 79 1.350 8.058 -10.295 1.00 41.41 N ATOM 1287 CA GLU A 79 0.338 8.829 -11.044 1.00 24.21 C ATOM 1288 C GLU A 79 -1.019 8.872 -10.323 1.00 22.14 C ATOM 1289 O GLU A 79 -1.422 7.921 -9.653 1.00 55.43 O ATOM 1290 CB GLU A 79 0.146 8.256 -12.457 1.00 54.42 C ATOM 1291 CG GLU A 79 1.392 8.343 -13.337 1.00 72.04 C ATOM 1292 CD GLU A 79 1.139 7.906 -14.772 1.00 24.04 C ATOM 1293 OE1 GLU A 79 0.614 8.722 -15.562 1.00 22.20 O ATOM 1294 OE2 GLU A 79 1.457 6.747 -15.120 1.00 61.22 O ATOM 0 H GLU A 79 1.025 7.151 -9.960 1.00 41.41 H new ATOM 0 HA GLU A 79 0.717 9.849 -11.111 1.00 24.21 H new ATOM 0 HB2 GLU A 79 -0.157 7.212 -12.377 1.00 54.42 H new ATOM 0 HB3 GLU A 79 -0.670 8.788 -12.946 1.00 54.42 H new ATOM 0 HG2 GLU A 79 1.760 9.369 -13.335 1.00 72.04 H new ATOM 0 HG3 GLU A 79 2.178 7.722 -12.907 1.00 72.04 H new ATOM 1301 N GLU A 80 -1.729 9.985 -10.505 1.00 74.13 N ATOM 1302 CA GLU A 80 -3.019 10.237 -9.844 1.00 30.04 C ATOM 1303 C GLU A 80 -4.203 9.859 -10.758 1.00 12.23 C ATOM 1304 O GLU A 80 -4.360 10.423 -11.845 1.00 64.14 O ATOM 1305 CB GLU A 80 -3.118 11.728 -9.480 1.00 12.24 C ATOM 1306 CG GLU A 80 -1.901 12.267 -8.726 1.00 14.21 C ATOM 1307 CD GLU A 80 -1.736 13.774 -8.878 1.00 71.44 C ATOM 1308 OE1 GLU A 80 -1.230 14.214 -9.940 1.00 31.04 O ATOM 1309 OE2 GLU A 80 -2.116 14.524 -7.957 1.00 63.23 O ATOM 0 H GLU A 80 -1.428 10.744 -11.117 1.00 74.13 H new ATOM 0 HA GLU A 80 -3.069 9.620 -8.947 1.00 30.04 H new ATOM 0 HB2 GLU A 80 -3.252 12.306 -10.394 1.00 12.24 H new ATOM 0 HB3 GLU A 80 -4.008 11.884 -8.871 1.00 12.24 H new ATOM 0 HG2 GLU A 80 -1.995 12.021 -7.668 1.00 14.21 H new ATOM 0 HG3 GLU A 80 -1.003 11.769 -9.090 1.00 14.21 H new ATOM 1316 N VAL A 81 -5.042 8.915 -10.323 1.00 72.42 N ATOM 1317 CA VAL A 81 -6.220 8.499 -11.107 1.00 54.23 C ATOM 1318 C VAL A 81 -7.489 8.407 -10.235 1.00 15.44 C ATOM 1319 O VAL A 81 -7.456 8.640 -9.025 1.00 61.40 O ATOM 1320 CB VAL A 81 -5.996 7.130 -11.812 1.00 24.41 C ATOM 1321 CG1 VAL A 81 -4.804 7.187 -12.764 1.00 61.35 C ATOM 1322 CG2 VAL A 81 -5.817 6.011 -10.791 1.00 54.23 C ATOM 0 H VAL A 81 -4.933 8.423 -9.436 1.00 72.42 H new ATOM 0 HA VAL A 81 -6.361 9.271 -11.863 1.00 54.23 H new ATOM 0 HB VAL A 81 -6.887 6.913 -12.401 1.00 24.41 H new ATOM 0 HG11 VAL A 81 -4.673 6.216 -13.241 1.00 61.35 H new ATOM 0 HG12 VAL A 81 -4.983 7.945 -13.527 1.00 61.35 H new ATOM 0 HG13 VAL A 81 -3.904 7.441 -12.205 1.00 61.35 H new ATOM 0 HG21 VAL A 81 -5.662 5.066 -11.311 1.00 54.23 H new ATOM 0 HG22 VAL A 81 -4.952 6.226 -10.164 1.00 54.23 H new ATOM 0 HG23 VAL A 81 -6.709 5.941 -10.168 1.00 54.23 H new ATOM 1332 N LYS A 82 -8.614 8.092 -10.873 1.00 75.20 N ATOM 1333 CA LYS A 82 -9.891 7.884 -10.172 1.00 10.34 C ATOM 1334 C LYS A 82 -10.398 6.448 -10.390 1.00 63.15 C ATOM 1335 O LYS A 82 -9.964 5.765 -11.319 1.00 42.54 O ATOM 1336 CB LYS A 82 -10.937 8.896 -10.672 1.00 62.13 C ATOM 1337 CG LYS A 82 -10.514 10.356 -10.495 1.00 13.14 C ATOM 1338 CD LYS A 82 -11.542 11.330 -11.067 1.00 4.24 C ATOM 1339 CE LYS A 82 -11.747 11.130 -12.564 1.00 11.31 C ATOM 1340 NZ LYS A 82 -10.487 11.324 -13.332 1.00 72.30 N ATOM 0 H LYS A 82 -8.673 7.973 -11.884 1.00 75.20 H new ATOM 0 HA LYS A 82 -9.731 8.036 -9.105 1.00 10.34 H new ATOM 0 HB2 LYS A 82 -11.134 8.710 -11.728 1.00 62.13 H new ATOM 0 HB3 LYS A 82 -11.873 8.731 -10.139 1.00 62.13 H new ATOM 0 HG2 LYS A 82 -10.370 10.564 -9.435 1.00 13.14 H new ATOM 0 HG3 LYS A 82 -9.553 10.516 -10.985 1.00 13.14 H new ATOM 0 HD2 LYS A 82 -12.493 11.199 -10.550 1.00 4.24 H new ATOM 0 HD3 LYS A 82 -11.216 12.353 -10.879 1.00 4.24 H new ATOM 0 HE2 LYS A 82 -12.131 10.126 -12.746 1.00 11.31 H new ATOM 0 HE3 LYS A 82 -12.501 11.830 -12.923 1.00 11.31 H new ATOM 0 HZ1 LYS A 82 -10.696 11.313 -14.351 1.00 72.30 H new ATOM 0 HZ2 LYS A 82 -10.061 12.238 -13.076 1.00 72.30 H new ATOM 0 HZ3 LYS A 82 -9.822 10.557 -13.107 1.00 72.30 H new ATOM 1354 N LYS A 83 -11.338 5.996 -9.552 1.00 1.40 N ATOM 1355 CA LYS A 83 -11.849 4.616 -9.648 1.00 71.11 C ATOM 1356 C LYS A 83 -12.509 4.342 -11.011 1.00 2.51 C ATOM 1357 O LYS A 83 -12.642 3.193 -11.427 1.00 31.01 O ATOM 1358 CB LYS A 83 -12.830 4.290 -8.500 1.00 70.22 C ATOM 1359 CG LYS A 83 -14.215 4.942 -8.597 1.00 24.54 C ATOM 1360 CD LYS A 83 -14.177 6.449 -8.363 1.00 44.03 C ATOM 1361 CE LYS A 83 -15.583 7.039 -8.250 1.00 44.04 C ATOM 1362 NZ LYS A 83 -16.422 6.751 -9.448 1.00 15.11 N ATOM 0 H LYS A 83 -11.758 6.553 -8.808 1.00 1.40 H new ATOM 0 HA LYS A 83 -10.985 3.958 -9.555 1.00 71.11 H new ATOM 0 HB2 LYS A 83 -12.961 3.209 -8.456 1.00 70.22 H new ATOM 0 HB3 LYS A 83 -12.372 4.594 -7.559 1.00 70.22 H new ATOM 0 HG2 LYS A 83 -14.637 4.742 -9.582 1.00 24.54 H new ATOM 0 HG3 LYS A 83 -14.880 4.482 -7.866 1.00 24.54 H new ATOM 0 HD2 LYS A 83 -13.619 6.662 -7.451 1.00 44.03 H new ATOM 0 HD3 LYS A 83 -13.645 6.931 -9.183 1.00 44.03 H new ATOM 0 HE2 LYS A 83 -16.072 6.636 -7.363 1.00 44.04 H new ATOM 0 HE3 LYS A 83 -15.511 8.118 -8.112 1.00 44.04 H new ATOM 0 HZ1 LYS A 83 -17.384 7.113 -9.293 1.00 15.11 H new ATOM 0 HZ2 LYS A 83 -16.008 7.215 -10.282 1.00 15.11 H new ATOM 0 HZ3 LYS A 83 -16.460 5.724 -9.606 1.00 15.11 H new ATOM 1376 N ASP A 84 -12.916 5.405 -11.703 1.00 51.21 N ATOM 1377 CA ASP A 84 -13.506 5.285 -13.042 1.00 33.12 C ATOM 1378 C ASP A 84 -12.435 4.951 -14.094 1.00 21.21 C ATOM 1379 O ASP A 84 -12.697 4.234 -15.061 1.00 33.34 O ATOM 1380 CB ASP A 84 -14.210 6.592 -13.410 1.00 34.32 C ATOM 1381 CG ASP A 84 -15.099 7.080 -12.286 1.00 43.23 C ATOM 1382 OD1 ASP A 84 -14.581 7.734 -11.360 1.00 51.12 O ATOM 1383 OD2 ASP A 84 -16.310 6.784 -12.296 1.00 72.03 O ATOM 0 H ASP A 84 -12.849 6.363 -11.360 1.00 51.21 H new ATOM 0 HA ASP A 84 -14.229 4.470 -13.028 1.00 33.12 H new ATOM 0 HB2 ASP A 84 -13.466 7.354 -13.644 1.00 34.32 H new ATOM 0 HB3 ASP A 84 -14.808 6.444 -14.309 1.00 34.32 H new ATOM 1388 N GLU A 85 -11.229 5.475 -13.889 1.00 52.32 N ATOM 1389 CA GLU A 85 -10.108 5.245 -14.805 1.00 31.21 C ATOM 1390 C GLU A 85 -9.458 3.874 -14.548 1.00 64.00 C ATOM 1391 O GLU A 85 -8.864 3.276 -15.446 1.00 52.10 O ATOM 1392 CB GLU A 85 -9.080 6.375 -14.644 1.00 62.22 C ATOM 1393 CG GLU A 85 -9.648 7.758 -14.960 1.00 42.40 C ATOM 1394 CD GLU A 85 -8.719 8.896 -14.561 1.00 11.34 C ATOM 1395 OE1 GLU A 85 -8.717 9.275 -13.375 1.00 60.44 O ATOM 1396 OE2 GLU A 85 -8.001 9.429 -15.432 1.00 4.21 O ATOM 0 H GLU A 85 -10.999 6.067 -13.091 1.00 52.32 H new ATOM 0 HA GLU A 85 -10.481 5.243 -15.829 1.00 31.21 H new ATOM 0 HB2 GLU A 85 -8.702 6.370 -13.622 1.00 62.22 H new ATOM 0 HB3 GLU A 85 -8.231 6.180 -15.299 1.00 62.22 H new ATOM 0 HG2 GLU A 85 -9.853 7.823 -16.029 1.00 42.40 H new ATOM 0 HG3 GLU A 85 -10.601 7.878 -14.444 1.00 42.40 H new ATOM 1403 N LEU A 86 -9.582 3.386 -13.315 1.00 32.51 N ATOM 1404 CA LEU A 86 -9.087 2.056 -12.942 1.00 13.54 C ATOM 1405 C LEU A 86 -10.004 0.940 -13.479 1.00 22.24 C ATOM 1406 O LEU A 86 -11.191 1.168 -13.730 1.00 73.13 O ATOM 1407 CB LEU A 86 -8.978 1.947 -11.411 1.00 72.00 C ATOM 1408 CG LEU A 86 -7.923 2.856 -10.758 1.00 14.02 C ATOM 1409 CD1 LEU A 86 -7.966 2.730 -9.236 1.00 63.21 C ATOM 1410 CD2 LEU A 86 -6.528 2.525 -11.287 1.00 31.25 C ATOM 0 H LEU A 86 -10.024 3.894 -12.549 1.00 32.51 H new ATOM 0 HA LEU A 86 -8.102 1.929 -13.391 1.00 13.54 H new ATOM 0 HB2 LEU A 86 -9.951 2.178 -10.977 1.00 72.00 H new ATOM 0 HB3 LEU A 86 -8.752 0.913 -11.153 1.00 72.00 H new ATOM 0 HG LEU A 86 -8.154 3.889 -11.020 1.00 14.02 H new ATOM 0 HD11 LEU A 86 -7.211 3.382 -8.796 1.00 63.21 H new ATOM 0 HD12 LEU A 86 -8.952 3.021 -8.875 1.00 63.21 H new ATOM 0 HD13 LEU A 86 -7.765 1.697 -8.951 1.00 63.21 H new ATOM 0 HD21 LEU A 86 -5.795 3.178 -10.814 1.00 31.25 H new ATOM 0 HD22 LEU A 86 -6.289 1.486 -11.059 1.00 31.25 H new ATOM 0 HD23 LEU A 86 -6.503 2.674 -12.366 1.00 31.25 H new ATOM 1422 N PRO A 87 -9.464 -0.280 -13.686 1.00 34.31 N ATOM 1423 CA PRO A 87 -10.272 -1.441 -14.103 1.00 74.12 C ATOM 1424 C PRO A 87 -11.354 -1.805 -13.072 1.00 74.33 C ATOM 1425 O PRO A 87 -11.109 -1.769 -11.864 1.00 50.03 O ATOM 1426 CB PRO A 87 -9.243 -2.581 -14.220 1.00 52.11 C ATOM 1427 CG PRO A 87 -7.920 -1.901 -14.340 1.00 4.45 C ATOM 1428 CD PRO A 87 -8.037 -0.624 -13.552 1.00 72.12 C ATOM 0 HA PRO A 87 -10.813 -1.241 -15.028 1.00 74.12 H new ATOM 0 HB2 PRO A 87 -9.274 -3.231 -13.346 1.00 52.11 H new ATOM 0 HB3 PRO A 87 -9.445 -3.206 -15.090 1.00 52.11 H new ATOM 0 HG2 PRO A 87 -7.121 -2.530 -13.947 1.00 4.45 H new ATOM 0 HG3 PRO A 87 -7.680 -1.695 -15.383 1.00 4.45 H new ATOM 0 HD2 PRO A 87 -7.752 -0.766 -12.509 1.00 72.12 H new ATOM 0 HD3 PRO A 87 -7.394 0.159 -13.954 1.00 72.12 H new ATOM 1436 N ALA A 88 -12.544 -2.175 -13.549 1.00 73.00 N ATOM 1437 CA ALA A 88 -13.653 -2.559 -12.661 1.00 31.12 C ATOM 1438 C ALA A 88 -13.251 -3.703 -11.712 1.00 60.33 C ATOM 1439 O ALA A 88 -13.805 -3.844 -10.618 1.00 31.10 O ATOM 1440 CB ALA A 88 -14.876 -2.951 -13.482 1.00 34.52 C ATOM 0 H ALA A 88 -12.768 -2.218 -14.543 1.00 73.00 H new ATOM 0 HA ALA A 88 -13.901 -1.694 -12.046 1.00 31.12 H new ATOM 0 HB1 ALA A 88 -15.689 -3.233 -12.812 1.00 34.52 H new ATOM 0 HB2 ALA A 88 -15.188 -2.106 -14.096 1.00 34.52 H new ATOM 0 HB3 ALA A 88 -14.627 -3.795 -14.125 1.00 34.52 H new ATOM 1446 N LYS A 89 -12.279 -4.510 -12.142 1.00 70.34 N ATOM 1447 CA LYS A 89 -11.730 -5.598 -11.321 1.00 11.02 C ATOM 1448 C LYS A 89 -11.218 -5.086 -9.959 1.00 2.55 C ATOM 1449 O LYS A 89 -11.245 -5.811 -8.966 1.00 31.44 O ATOM 1450 CB LYS A 89 -10.599 -6.308 -12.082 1.00 3.54 C ATOM 1451 CG LYS A 89 -9.960 -7.466 -11.318 1.00 23.15 C ATOM 1452 CD LYS A 89 -10.978 -8.549 -10.961 1.00 20.11 C ATOM 1453 CE LYS A 89 -10.331 -9.706 -10.210 1.00 4.42 C ATOM 1454 NZ LYS A 89 -9.295 -10.395 -11.025 1.00 53.10 N ATOM 0 H LYS A 89 -11.850 -4.431 -13.064 1.00 70.34 H new ATOM 0 HA LYS A 89 -12.535 -6.306 -11.123 1.00 11.02 H new ATOM 0 HB2 LYS A 89 -10.992 -6.684 -13.027 1.00 3.54 H new ATOM 0 HB3 LYS A 89 -9.827 -5.578 -12.326 1.00 3.54 H new ATOM 0 HG2 LYS A 89 -9.163 -7.902 -11.921 1.00 23.15 H new ATOM 0 HG3 LYS A 89 -9.499 -7.088 -10.406 1.00 23.15 H new ATOM 0 HD2 LYS A 89 -11.770 -8.116 -10.350 1.00 20.11 H new ATOM 0 HD3 LYS A 89 -11.446 -8.923 -11.872 1.00 20.11 H new ATOM 0 HE2 LYS A 89 -9.879 -9.333 -9.291 1.00 4.42 H new ATOM 0 HE3 LYS A 89 -11.099 -10.423 -9.920 1.00 4.42 H new ATOM 0 HZ1 LYS A 89 -9.015 -11.280 -10.555 1.00 53.10 H new ATOM 0 HZ2 LYS A 89 -9.680 -10.610 -11.967 1.00 53.10 H new ATOM 0 HZ3 LYS A 89 -8.464 -9.778 -11.124 1.00 53.10 H new ATOM 1468 N VAL A 90 -10.759 -3.836 -9.916 1.00 74.43 N ATOM 1469 CA VAL A 90 -10.315 -3.220 -8.659 1.00 11.14 C ATOM 1470 C VAL A 90 -11.465 -3.174 -7.637 1.00 53.14 C ATOM 1471 O VAL A 90 -11.263 -3.399 -6.442 1.00 42.02 O ATOM 1472 CB VAL A 90 -9.763 -1.788 -8.889 1.00 31.23 C ATOM 1473 CG1 VAL A 90 -9.335 -1.142 -7.568 1.00 64.03 C ATOM 1474 CG2 VAL A 90 -8.599 -1.817 -9.882 1.00 70.14 C ATOM 0 H VAL A 90 -10.684 -3.229 -10.732 1.00 74.43 H new ATOM 0 HA VAL A 90 -9.509 -3.839 -8.264 1.00 11.14 H new ATOM 0 HB VAL A 90 -10.563 -1.180 -9.312 1.00 31.23 H new ATOM 0 HG11 VAL A 90 -8.953 -0.140 -7.760 1.00 64.03 H new ATOM 0 HG12 VAL A 90 -10.193 -1.081 -6.898 1.00 64.03 H new ATOM 0 HG13 VAL A 90 -8.555 -1.745 -7.104 1.00 64.03 H new ATOM 0 HG21 VAL A 90 -8.224 -0.805 -10.032 1.00 70.14 H new ATOM 0 HG22 VAL A 90 -7.800 -2.446 -9.488 1.00 70.14 H new ATOM 0 HG23 VAL A 90 -8.943 -2.221 -10.834 1.00 70.14 H new ATOM 1484 N LYS A 91 -12.673 -2.904 -8.129 1.00 15.11 N ATOM 1485 CA LYS A 91 -13.880 -2.903 -7.291 1.00 0.42 C ATOM 1486 C LYS A 91 -14.271 -4.338 -6.897 1.00 4.31 C ATOM 1487 O LYS A 91 -14.832 -4.575 -5.827 1.00 15.35 O ATOM 1488 CB LYS A 91 -15.036 -2.219 -8.040 1.00 33.12 C ATOM 1489 CG LYS A 91 -16.329 -2.112 -7.235 1.00 51.25 C ATOM 1490 CD LYS A 91 -17.421 -1.380 -8.015 1.00 4.45 C ATOM 1491 CE LYS A 91 -18.705 -1.241 -7.208 1.00 41.15 C ATOM 1492 NZ LYS A 91 -19.751 -0.508 -7.963 1.00 73.40 N ATOM 0 H LYS A 91 -12.846 -2.681 -9.109 1.00 15.11 H new ATOM 0 HA LYS A 91 -13.670 -2.346 -6.378 1.00 0.42 H new ATOM 0 HB2 LYS A 91 -14.721 -1.218 -8.334 1.00 33.12 H new ATOM 0 HB3 LYS A 91 -15.237 -2.772 -8.957 1.00 33.12 H new ATOM 0 HG2 LYS A 91 -16.677 -3.111 -6.971 1.00 51.25 H new ATOM 0 HG3 LYS A 91 -16.134 -1.585 -6.301 1.00 51.25 H new ATOM 0 HD2 LYS A 91 -17.062 -0.390 -8.298 1.00 4.45 H new ATOM 0 HD3 LYS A 91 -17.630 -1.920 -8.939 1.00 4.45 H new ATOM 0 HE2 LYS A 91 -19.075 -2.231 -6.940 1.00 41.15 H new ATOM 0 HE3 LYS A 91 -18.494 -0.717 -6.276 1.00 41.15 H new ATOM 0 HZ1 LYS A 91 -20.610 -0.433 -7.382 1.00 73.40 H new ATOM 0 HZ2 LYS A 91 -19.407 0.445 -8.197 1.00 73.40 H new ATOM 0 HZ3 LYS A 91 -19.970 -1.022 -8.840 1.00 73.40 H new